2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile

C13H7N3OS — CID 106922360

IUPAC2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Sc1ncco1
InChIInChI=1S/C13H7N3OS/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H
InChIKeyVPPOJCPFBDVJOV-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.25
Rot. Bonds2

About 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile

2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile (PubChem CID 106922360) has the molecular formula C13H7N3OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile
PubChem CID106922360
Molecular FormulaC13H7N3OS
Molecular Weight253.29 g/mol
Exact Mass253.03
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Sc1ncco1
InChIInChI=1S/C13H7N3OS/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H
InChIKeyVPPOJCPFBDVJOV-UHFFFAOYSA-N
XLogP3.25
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922353
1,3-Oxazole;quinoline;1,3-thiazole
CID 158077050
Acridine;1,3-oxazole
CID 158417273
1,3-Oxazole;phosphane;quinoline
CID 159601305
1,3-Oxazole;quinoline
CID 162020962
2-Prop-2-enyl-1,3-oxazole;quinoline
CID 174429376
1,3-Oxazol-2-ylphosphane;quinoline
CID 174535559
1,3-Oxazole;quinoline;hydrate
CID 174580573
1,3-Oxazole-2-carbaldehyde;quinoline
CID 174673421
2-Ethyl-1,3-oxazole;quinoline
CID 174841400

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile (CID 106922360) is 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile?
The InChIKey is VPPOJCPFBDVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3OS/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile?
2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile has a molecular weight of 253.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carbonitrile is sourced from PubChem (CID 106922360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).