4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C15H12N2O3S — CID 38466944

IUPAC4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H12N2O3S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyLGVFRDSJYBDCDS-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.10
Rot. Bonds3

About 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 38466944) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID38466944
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H12N2O3S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyLGVFRDSJYBDCDS-UHFFFAOYSA-N
XLogP3.10
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 38466944) is 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CSc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is LGVFRDSJYBDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 38466944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).