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923804-34-6

923804-34-6 | 5-methyl-3-phenyl-N-(prop-2-yn-1-yl)-1,2-oxazole-4-carboxamide

CAS No: 923804-34-6 Catalog No: AG00IUZM MDL No:MFCD00171054

Product Description

Catalog Number:
AG00IUZM
Chemical Name:
5-methyl-3-phenyl-N-(prop-2-yn-1-yl)-1,2-oxazole-4-carboxamide
CAS Number:
923804-34-6
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
MDL Number:
MFCD00171054
IUPAC Name:
5-methyl-3-phenyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C14H12N2O2/c1-3-9-15-14(17)12-10(2)18-16-13(12)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3,(H,15,17)
InChI Key:
NNPQQESTLLHJQN-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1c(C)onc1c1ccccc1

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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