N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide

C19H21N3O3S — CID 10022121

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4)cccc23)c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22-11-3-4-12-22/h5-10,21H,3-4,11-12H2,1-2H3
InChIKeyRNGKFYCDICNCCX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.85
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide (PubChem CID 10022121) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide
PubChem CID10022121
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4)cccc23)c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22-11-3-4-12-22/h5-10,21H,3-4,11-12H2,1-2H3
InChIKeyRNGKFYCDICNCCX-UHFFFAOYSA-N
XLogP3.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-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-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide (CID 10022121) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The InChIKey is RNGKFYCDICNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22-11-3-4-12-22/h5-10,21H,3-4,11-12H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-pyrrolidin-1-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10022121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).