N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H20N2O3 — CID 17330097

IUPACN-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O3/c1-13(15-9-11-17(24-3)12-10-15)21-20(23)18-14(2)25-22-19(18)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,23)
InChIKeyXYZYXMVLKKGARN-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 17330097) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID17330097
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O3/c1-13(15-9-11-17(24-3)12-10-15)21-20(23)18-14(2)25-22-19(18)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,23)
InChIKeyXYZYXMVLKKGARN-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1267772
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60512827
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35997682
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 17330097) is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XYZYXMVLKKGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(15-9-11-17(24-3)12-10-15)21-20(23)18-14(2)25-22-19(18)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17330097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).