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

C20H20N2O4 — CID 46096877

IUPAC5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2-c2ccccc2OC)c1
InChIInChI=1S/C20H20N2O4/c1-13-18(19(26-22-13)16-9-4-5-10-17(16)25-3)20(23)21-12-14-7-6-8-15(11-14)24-2/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKLOSYGCUKBBSAO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.60
Rot. Bonds6

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

5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46096877) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46096877
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2-c2ccccc2OC)c1
InChIInChI=1S/C20H20N2O4/c1-13-18(19(26-22-13)16-9-4-5-10-17(16)25-3)20(23)21-12-14-7-6-8-15(11-14)24-2/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKLOSYGCUKBBSAO-UHFFFAOYSA-N
XLogP3.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
3-methyl-5-(2-methylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 46096895
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
N-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254355
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46096877) is 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1cccc(CNC(=O)c2c(C)noc2-c2ccccc2OC)c1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KLOSYGCUKBBSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-18(19(26-22-13)16-9-4-5-10-17(16)25-3)20(23)21-12-14-7-6-8-15(11-14)24-2/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).