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

C21H22N2O2 — CID 2915253

IUPAC5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15(13-14-17-9-5-3-6-10-17)22-21(24)19-16(2)25-23-20(19)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyJXKNQXFVWYAXDV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.40
Rot. Bonds6

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

5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2915253) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID2915253
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15(13-14-17-9-5-3-6-10-17)22-21(24)19-16(2)25-23-20(19)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyJXKNQXFVWYAXDV-UHFFFAOYSA-N
XLogP4.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18162415
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
CID 59170271
5-methyl-3-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 33157326
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498087
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 111662479

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide (CID 2915253) is 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is JXKNQXFVWYAXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(13-14-17-9-5-3-6-10-17)22-21(24)19-16(2)25-23-20(19)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2915253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).