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

C20H22N2O4 — CID 19493674

IUPAC3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC(c3ccccc3OC)=NO2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(14-8-10-15(24-2)11-9-14)21-20(23)19-12-17(22-26-19)16-6-4-5-7-18(16)25-3/h4-11,13,19H,12H2,1-3H3,(H,21,23)
InChIKeyOFZWWAYTKXQVIR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.07
Rot. Bonds6

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

3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493674) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493674
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC(c3ccccc3OC)=NO2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(14-8-10-15(24-2)11-9-14)21-20(23)19-12-17(22-26-19)16-6-4-5-7-18(16)25-3/h4-11,13,19H,12H2,1-3H3,(H,21,23)
InChIKeyOFZWWAYTKXQVIR-UHFFFAOYSA-N
XLogP3.07
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095866
(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095330
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491473
N-[bis(4-methoxyphenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55675627
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
(5R)-N-tert-butyl-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503918
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
N-[1-(4-ethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 167846002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493674) is 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C(C)NC(=O)C2CC(c3ccccc3OC)=NO2)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OFZWWAYTKXQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(14-8-10-15(24-2)11-9-14)21-20(23)19-12-17(22-26-19)16-6-4-5-7-18(16)25-3/h4-11,13,19H,12H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).