N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide

C21H22N2O2 — CID 17256808

IUPACN-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-4-15-23(18-13-9-6-10-14-18)21(24)19-16(2)25-22-20(19)17-11-7-5-8-12-17/h5-14H,3-4,15H2,1-2H3
InChIKeyAHBHVYINXYREFO-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.10
Rot. Bonds6

About N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide

N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide (PubChem CID 17256808) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
PubChem CID17256808
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-4-15-23(18-13-9-6-10-14-18)21(24)19-16(2)25-22-20(19)17-11-7-5-8-12-17/h5-14H,3-4,15H2,1-2H3
InChIKeyAHBHVYINXYREFO-UHFFFAOYSA-N
XLogP5.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide
CID 101363803
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide (CID 17256808) is N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide is CCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1.
What is the InChIKey of N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide?
The InChIKey is AHBHVYINXYREFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-4-15-23(18-13-9-6-10-14-18)21(24)19-16(2)25-22-20(19)17-11-7-5-8-12-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide?
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).