N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C15H17N3O4S — CID 1087733

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)16-15(19)12-5-4-6-13(10-12)23(20,21)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyWECWCNXJJLJSKT-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.02
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1087733) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1087733
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)16-15(19)12-5-4-6-13(10-12)23(20,21)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyWECWCNXJJLJSKT-UHFFFAOYSA-N
XLogP2.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134052502
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7223581
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838796
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1087733) is N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WECWCNXJJLJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-9-14(17-22-11)16-15(19)12-5-4-6-13(10-12)23(20,21)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 335.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1087733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).