2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide

C17H19N3O4S — CID 131938913

IUPAC2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cccnc1
InChIInChI=1S/C17H19N3O4S/c1-2-3-6-14(12-5-4-9-18-11-12)20-25(22,23)13-7-8-15-16(10-13)24-17(21)19-15/h4-5,7-11,14,20H,2-3,6H2,1H3,(H,19,21)
InChIKeyYZGRRLKFXWQKKO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.73
Rot. Bonds7

About 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 131938913) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID131938913
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cccnc1
InChIInChI=1S/C17H19N3O4S/c1-2-3-6-14(12-5-4-9-18-11-12)20-25(22,23)13-7-8-15-16(10-13)24-17(21)19-15/h4-5,7-11,14,20H,2-3,6H2,1H3,(H,19,21)
InChIKeyYZGRRLKFXWQKKO-UHFFFAOYSA-N
XLogP2.73
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide (CID 131938913) is 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide is CCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cccnc1.
What is the InChIKey of 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is YZGRRLKFXWQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-2-3-6-14(12-5-4-9-18-11-12)20-25(22,23)13-7-8-15-16(10-13)24-17(21)19-15/h4-5,7-11,14,20H,2-3,6H2,1H3,(H,19,21).
What are the key properties of 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 131938913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).