N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide

C15H12N4O2S — CID 167813221

IUPACN-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(-c3cccnc3)no2)nc1
InChIInChI=1S/C15H12N4O2S/c1-22-11-4-5-14(17-9-11)18-15(20)13-7-12(19-21-13)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,18,20)
InChIKeyOMRREUPTVMGWMI-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.11
Rot. Bonds4

About N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide

N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 167813221) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
PubChem CID167813221
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(-c3cccnc3)no2)nc1
InChIInChI=1S/C15H12N4O2S/c1-22-11-4-5-14(17-9-11)18-15(20)13-7-12(19-21-13)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,18,20)
InChIKeyOMRREUPTVMGWMI-UHFFFAOYSA-N
XLogP3.11
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methylsulfanyl-2-pyridin-3-ylpyridine
CID 123833114
3-(3-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 46949489
5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide
CID 166333203
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 134018376
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129255075
3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 75469948
3,4-difluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143042
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 91938869

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide (CID 167813221) is N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide is CSc1ccc(NC(=O)c2cc(-c3cccnc3)no2)nc1.
What is the InChIKey of N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is OMRREUPTVMGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-22-11-4-5-14(17-9-11)18-15(20)13-7-12(19-21-13)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,18,20).
What are the key properties of N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-2-pyridinyl)-3-pyridin-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167813221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).