5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

C20H20N2O3 — CID 46096857

IUPAC5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-13(15-9-5-4-6-10-15)21-20(23)18-14(2)22-25-19(18)16-11-7-8-12-17(16)24-3/h4-13H,1-3H3,(H,21,23)
InChIKeyFGTUEDNCICCPKN-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.15
Rot. Bonds5

About 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46096857) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID46096857
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-13(15-9-5-4-6-10-15)21-20(23)18-14(2)22-25-19(18)16-11-7-8-12-17(16)24-3/h4-13H,1-3H3,(H,21,23)
InChIKeyFGTUEDNCICCPKN-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

5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92767787
5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46096842
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 59170239
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82127138

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (CID 46096857) is 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is COc1ccccc1-c1onc(C)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FGTUEDNCICCPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(15-9-5-4-6-10-15)21-20(23)18-14(2)22-25-19(18)16-11-7-8-12-17(16)24-3/h4-13H,1-3H3,(H,21,23).
What are the key properties of 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-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 5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).