N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H19N3O2 — CID 75450815

IUPACN-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-3-16-13-19(17-11-7-8-12-18(17)23-16)24-22(26)20-14(2)27-25-21(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,23,24,26)
InChIKeyGCWGSWDDXOBZCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.01
Rot. Bonds4

About N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 75450815) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID75450815
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-3-16-13-19(17-11-7-8-12-18(17)23-16)24-22(26)20-14(2)27-25-21(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,23,24,26)
InChIKeyGCWGSWDDXOBZCH-UHFFFAOYSA-N
XLogP5.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-[2-methoxy-6-[6-(methylaminomethyl)-3-pyridinyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108874
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 75450815) is N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c2ccccc2n1.
What is the InChIKey of N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GCWGSWDDXOBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-16-13-19(17-11-7-8-12-18(17)23-16)24-22(26)20-14(2)27-25-21(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,23,24,26).
What are the key properties of N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75450815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).