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

C17H22N2O4 — CID 74242325

IUPACN-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOCC(C)N(Cc1cccc(OC)c1)C(=O)c1ncoc1C
InChIInChI=1S/C17H22N2O4/c1-12(10-21-3)19(17(20)16-13(2)23-11-18-16)9-14-6-5-7-15(8-14)22-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyWHSDBFFEVUVMLQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.67
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 74242325) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID74242325
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOCC(C)N(Cc1cccc(OC)c1)C(=O)c1ncoc1C
InChIInChI=1S/C17H22N2O4/c1-12(10-21-3)19(17(20)16-13(2)23-11-18-16)9-14-6-5-7-15(8-14)22-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyWHSDBFFEVUVMLQ-UHFFFAOYSA-N
XLogP2.67
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
CID 173165788
2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 92560797
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523039
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132704874
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037
(2S)-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 100502264
N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71106716
N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 92628120
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521090

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 74242325) is N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide is COCC(C)N(Cc1cccc(OC)c1)C(=O)c1ncoc1C.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WHSDBFFEVUVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(10-21-3)19(17(20)16-13(2)23-11-18-16)9-14-6-5-7-15(8-14)22-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74242325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).