5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C20H17N3O2S — CID 142196312

IUPAC5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(S)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C20H17N3O2S/c1-22-16(14-9-6-10-15(11-14)23(2)26)12-17-18(20(22)24)19(21-25-17)13-7-4-3-5-8-13/h3-12,26H,1-2H3
InChIKeyZYTOOFMUWDPSJY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.14
Rot. Bonds3

About 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 142196312) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID142196312
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(S)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C20H17N3O2S/c1-22-16(14-9-6-10-15(11-14)23(2)26)12-17-18(20(22)24)19(21-25-17)13-7-4-3-5-8-13/h3-12,26H,1-2H3
InChIKeyZYTOOFMUWDPSJY-UHFFFAOYSA-N
XLogP4.14
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one 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 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 142196312) is 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is CN(S)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1.
What is the InChIKey of 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is ZYTOOFMUWDPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-22-16(14-9-6-10-15(11-14)23(2)26)12-17-18(20(22)24)19(21-25-17)13-7-4-3-5-8-13/h3-12,26H,1-2H3.
What are the key properties of 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 363.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 142196312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).