3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C19H17ClN2O3 — CID 46232982

IUPAC3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)15-6-4-5-7-16(15)20)19(23)22(2)13-8-10-14(24-3)11-9-13/h4-11H,1-3H3
InChIKeyIOOSUFDLWFLMIN-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.59
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 46232982) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID46232982
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)15-6-4-5-7-16(15)20)19(23)22(2)13-8-10-14(24-3)11-9-13/h4-11H,1-3H3
InChIKeyIOOSUFDLWFLMIN-UHFFFAOYSA-N
XLogP4.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 1050462
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 46232982) is 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IOOSUFDLWFLMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)15-6-4-5-7-16(15)20)19(23)22(2)13-8-10-14(24-3)11-9-13/h4-11H,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).