N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide

C17H17N3O4S — CID 47022474

IUPACN-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc21
InChIInChI=1S/C17H17N3O4S/c1-19-15-5-4-14(10-16(15)24-17(19)21)25(22,23)20(13-2-3-13)11-12-6-8-18-9-7-12/h4-10,13H,2-3,11H2,1H3
InChIKeyOAQWWITYNYUPHX-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.88
Rot. Bonds5

About N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide

N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 47022474) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID47022474
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc21
InChIInChI=1S/C17H17N3O4S/c1-19-15-5-4-14(10-16(15)24-17(19)21)25(22,23)20(13-2-3-13)11-12-6-8-18-9-7-12/h4-10,13H,2-3,11H2,1H3
InChIKeyOAQWWITYNYUPHX-UHFFFAOYSA-N
XLogP1.88
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide (CID 47022474) is N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is OAQWWITYNYUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-19-15-5-4-14(10-16(15)24-17(19)21)25(22,23)20(13-2-3-13)11-12-6-8-18-9-7-12/h4-10,13H,2-3,11H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 47022474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).