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

C14H15N3O4S — CID 972842

IUPACN-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O4S/c18-14(15-13-6-9-21-16-13)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18)
InChIKeyXCIPQCMZAVNOFS-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.71
Rot. Bonds4

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

N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 972842) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID972842
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O4S/c18-14(15-13-6-9-21-16-13)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18)
InChIKeyXCIPQCMZAVNOFS-UHFFFAOYSA-N
XLogP1.71
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 972842) is N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XCIPQCMZAVNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c18-14(15-13-6-9-21-16-13)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18).
What are the key properties of N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 321.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 972842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).