N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C16H15N3O2S — CID 2430340

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)no1
InChIInChI=1S/C16H15N3O2S/c1-10-7-16(17-13-6-4-3-5-12(10)13)22-9-15(20)18-14-8-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyBOCAPSFGORMOBK-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.57
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2430340) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2430340
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)no1
InChIInChI=1S/C16H15N3O2S/c1-10-7-16(17-13-6-4-3-5-12(10)13)22-9-15(20)18-14-8-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyBOCAPSFGORMOBK-UHFFFAOYSA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide 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

N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2085698
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2430340) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is BOCAPSFGORMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-7-16(17-13-6-4-3-5-12(10)13)22-9-15(20)18-14-8-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 313.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2430340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).