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

C20H20N2O3 — CID 2198505

IUPAC5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O3/c1-3-13-24-17-11-9-16(10-12-17)21-20(23)18-14(2)25-22-19(18)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyXHGKYGMUTQPQOL-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.69
Rot. Bonds6

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

5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 2198505) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID2198505
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O3/c1-3-13-24-17-11-9-16(10-12-17)21-20(23)18-14(2)25-22-19(18)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyXHGKYGMUTQPQOL-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

3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 35365084
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide (CID 2198505) is 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide is CCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XHGKYGMUTQPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-13-24-17-11-9-16(10-12-17)21-20(23)18-14(2)25-22-19(18)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(4-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-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2198505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).