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

C18H18N2O3S — CID 10043017

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide
SMILESC=C(C)c1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C18H18N2O3S/c1-11(2)14-7-5-9-16-15(14)8-6-10-17(16)24(21,22)20-18-12(3)13(4)19-23-18/h5-10,20H,1H2,2-4H3
InChIKeyZRRPWYSCRYJBJK-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.28
Rot. Bonds4

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide (PubChem CID 10043017) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide
PubChem CID10043017
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide
SMILESC=C(C)c1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C18H18N2O3S/c1-11(2)14-7-5-9-16-15(14)8-6-10-17(16)24(21,22)20-18-12(3)13(4)19-23-18/h5-10,20H,1H2,2-4H3
InChIKeyZRRPWYSCRYJBJK-UHFFFAOYSA-N
XLogP4.28
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-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-prop-1-en-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide (CID 10043017) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide is C=C(C)c1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide?
The InChIKey is ZRRPWYSCRYJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(2)14-7-5-9-16-15(14)8-6-10-17(16)24(21,22)20-18-12(3)13(4)19-23-18/h5-10,20H,1H2,2-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-prop-1-en-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10043017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).