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

C15H17N3O4S — CID 974221

IUPAC4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H17N3O4S/c1-11-4-5-12(15(19)16-14-6-9-22-17-14)10-13(11)23(20,21)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyXETFUFFYBBBPNO-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.02
Rot. Bonds4

About 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 974221) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID974221
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H17N3O4S/c1-11-4-5-12(15(19)16-14-6-9-22-17-14)10-13(11)23(20,21)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyXETFUFFYBBBPNO-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 ≤ 500335.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 974221) is 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XETFUFFYBBBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-4-5-12(15(19)16-14-6-9-22-17-14)10-13(11)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 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 335.38 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 4-methyl-N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 974221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).