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

C19H17ClN2O4 — CID 1118257

IUPAC3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O4/c1-11-17(18(22-26-11)13-6-4-5-7-14(13)20)19(23)21-15-9-8-12(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyJOEFMWSQICHLEA-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.57
Rot. Bonds5

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

3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1118257) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1118257
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O4/c1-11-17(18(22-26-11)13-6-4-5-7-14(13)20)19(23)21-15-9-8-12(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyJOEFMWSQICHLEA-UHFFFAOYSA-N
XLogP4.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
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
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
CID 5524008
2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10075862
2-(3-Dodecyl-isoxazol-5-yl)-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10695292
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
3-(2-chlorophenyl)-N-((2-methoxyphenyl)carbamothioyl)-5-methylisoxazole-4-carboxamide
CID 1192732

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1118257) is 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JOEFMWSQICHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-11-17(18(22-26-11)13-6-4-5-7-14(13)20)19(23)21-15-9-8-12(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1118257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).