3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide

C20H19ClN2O2 — CID 1241573

IUPAC3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)
InChIKeyWRQYTVUHKWFTAU-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.68
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 1241573) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID1241573
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)
InChIKeyWRQYTVUHKWFTAU-UHFFFAOYSA-N
XLogP5.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide (CID 1241573) is 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WRQYTVUHKWFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1241573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).