2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C14H10F3N3OS — CID 66881043

IUPAC2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3OS/c1-2-22-11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)21-12/h3-7H,2H2,1H3
InChIKeyWGKDOIXRZNFEPM-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.42
Rot. Bonds3

About 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66881043) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66881043
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3OS/c1-2-22-11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)21-12/h3-7H,2H2,1H3
InChIKeyWGKDOIXRZNFEPM-UHFFFAOYSA-N
XLogP4.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxazolo(5,4-b)pyridine, 2-(2-fluorophenyl)-
CID 3040488
6-[2-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70692236
2-Phenyloxazolo[5,4-b]pyridine
CID 11805638
5-Fluoro-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 71459371
2-(2,6-Difluorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 12461424
2-(4-Fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 12461410
2-[3-(Trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 12461418
2-(3-Fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 12461425
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 155538119
3-[2-Methyl-4-[[2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]methylsulfanyl]phenyl]propanoic acid
CID 10096334
2-[3-[[2-[4-(Trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]methylsulfanyl]phenyl]acetic acid
CID 10456113
2-[4-(Trifluoromethyl)phenyl]oxazolo[5,4-b]pyridine
CID 19979597

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66881043) is 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WGKDOIXRZNFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-2-22-11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)21-12/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 325.32 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66881043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).