5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide

C20H20N2O3 — CID 2260458

IUPAC5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H20N2O3/c1-3-12-24-17-11-7-10-16(13-17)21-20(23)18-14(2)25-22-19(18)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyQQIKEEHMGPQKIK-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.69
Rot. Bonds6

About 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 2260458) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID2260458
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H20N2O3/c1-3-12-24-17-11-7-10-16(13-17)21-20(23)18-14(2)25-22-19(18)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyQQIKEEHMGPQKIK-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
CID 2572928
3-(4-Isopropoxyphenyl)-3-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}propanoic acid
CID 3245669
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
2-methoxy-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 7709015
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
CID 2998641

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide (CID 2260458) is 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide is CCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is QQIKEEHMGPQKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-12-24-17-11-7-10-16(13-17)21-20(23)18-14(2)25-22-19(18)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2260458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).