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

C19H18N2O3 — CID 6621305

IUPACN-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1
InChIInChI=1S/C19H18N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)17-12-18(24-20-17)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeyAPMGZADCNQICAG-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.62
Rot. Bonds5

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

N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 6621305) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID6621305
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1
InChIInChI=1S/C19H18N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)17-12-18(24-20-17)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeyAPMGZADCNQICAG-UHFFFAOYSA-N
XLogP3.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140480
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 6621305) is N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is APMGZADCNQICAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)17-12-18(24-20-17)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6621305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).