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

C16H19N3O4S — CID 7760096

IUPAC3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H19N3O4S/c1-11-15(12(2)23-18-11)16(20)17-13-6-5-7-14(10-13)24(21,22)19-8-3-4-9-19/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyHAONPAROGWBEMY-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.33
Rot. Bonds4

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

3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 7760096) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID7760096
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H19N3O4S/c1-11-15(12(2)23-18-11)16(20)17-13-6-5-7-14(10-13)24(21,22)19-8-3-4-9-19/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyHAONPAROGWBEMY-UHFFFAOYSA-N
XLogP2.33
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-(3-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

Related Compounds

1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 17434709
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31766906
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18208046
3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 17426922
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 36715719
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 7760096) is 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HAONPAROGWBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-15(12(2)23-18-11)16(20)17-13-6-5-7-14(10-13)24(21,22)19-8-3-4-9-19/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7760096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).