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439109-65-6 | 4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439109-65-6 Catalog No: AG00IYFN MDL No:MFCD02661762
Product Description
Catalog Number:
AG00IYFN
Chemical Name:
4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439109-65-6
Molecular Formula:
C22H18N4O3
Molecular Weight:
386.4033
MDL Number:
MFCD02661762
IUPAC Name:
4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C22H18N4O3/c1-14-19(20(26-29-14)15-7-3-2-4-8-15)21(27)16-11-18(24-12-16)22(28)25-13-17-9-5-6-10-23-17/h2-12,24H,13H2,1H3,(H,25,28)
InChI Key:
ASQPEPIWUCTSON-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)c1c(C)onc1c1ccccc1)NCc1ccccn1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.138g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.411g/mol
Monoisotopic Mass:
386.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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