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

C20H20N2O3 — CID 975586

IUPAC5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)24-17-11-9-16(10-12-17)21-20(23)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23)
InChIKeyRZCQVKVNUWCYGE-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.69
Rot. Bonds5

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

5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 975586) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID975586
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)24-17-11-9-16(10-12-17)21-20(23)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23)
InChIKeyRZCQVKVNUWCYGE-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
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
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide (CID 975586) is 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RZCQVKVNUWCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(2)24-17-11-9-16(10-12-17)21-20(23)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23).
What are the key properties of 5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.69, 5 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-(4-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 975586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).