2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide

C15H18N4O2S — CID 119452695

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC2CCNC2)no1
InChIInChI=1S/C15H18N4O2S/c1-10-7-12(19-21-10)9-22-15-13(3-2-5-17-15)14(20)18-11-4-6-16-8-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3,(H,18,20)
InChIKeyLLNCXZRSSRXVPT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.76
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide (PubChem CID 119452695) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
PubChem CID119452695
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC2CCNC2)no1
InChIInChI=1S/C15H18N4O2S/c1-10-7-12(19-21-10)9-22-15-13(3-2-5-17-15)14(20)18-11-4-6-16-8-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3,(H,18,20)
InChIKeyLLNCXZRSSRXVPT-UHFFFAOYSA-N
XLogP1.76
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide 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-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 78811351
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55809513
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 35224232
N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 119412076
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 51255908
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(3-methylpiperidin-1-yl)butyl]pyridine-3-carboxamide
CID 47041493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide (CID 119452695) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NC2CCNC2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The InChIKey is LLNCXZRSSRXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-7-12(19-21-10)9-22-15-13(3-2-5-17-15)14(20)18-11-4-6-16-8-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3,(H,18,20).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119452695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).