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

C21H20ClN3O4S — CID 1087200

IUPAC3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-14-19(20(24-29-14)17-6-2-3-7-18(17)22)21(26)23-15-8-10-16(11-9-15)30(27,28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyHJBLEDLUPAYGTR-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.34
Rot. Bonds5

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

3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 1087200) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID1087200
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-14-19(20(24-29-14)17-6-2-3-7-18(17)22)21(26)23-15-8-10-16(11-9-15)30(27,28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyHJBLEDLUPAYGTR-UHFFFAOYSA-N
XLogP4.34
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 1087200) is 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HJBLEDLUPAYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-14-19(20(24-29-14)17-6-2-3-7-18(17)22)21(26)23-15-8-10-16(11-9-15)30(27,28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1087200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).