2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole

C15H11FN2OS — CID 166359800

IUPAC2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole
SMILESFc1cnccc1SCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C15H11FN2OS/c16-13-9-17-6-5-14(13)20-10-11-1-3-12(4-2-11)15-18-7-8-19-15/h1-9H,10H2
InChIKeyLQDUGARQHIEVJT-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds4

About 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole

2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole (PubChem CID 166359800) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole
PubChem CID166359800
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole
SMILESFc1cnccc1SCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C15H11FN2OS/c16-13-9-17-6-5-14(13)20-10-11-1-3-12(4-2-11)15-18-7-8-19-15/h1-9H,10H2
InChIKeyLQDUGARQHIEVJT-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
6-(Phenylthio)-1-(5-(pyridin-2-yl)oxazol-2-yl)hexan-1-one
CID 16735835
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(phenylthio)phenyl)propane
CID 16736009
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-(methylthio)phenyl)heptane
CID 16736629
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-(methylthio)phenyl)heptane
CID 16736630
5-(Benzylthio)-1-(5-(pyridin-2-yl)oxazol-2-yl)pentan-1-one
CID 16736928
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-(methylthio)phenyl)heptane
CID 16738134
4-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]pyridine
CID 616745
5-(4-Fluorophenyl)-2-thiophen-2-yloxazole
CID 856373
5-Phenyl-2-(thiophen-2-YL)oxazole
CID 4303653
1-[2-(2,4-Difluorophenyl)ethyl]-4-fluoro-4-[4-(1,3-oxazol-2-yl)phenylsulfonyl]piperidine
CID 44216202
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 8850174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole (CID 166359800) is 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole is Fc1cnccc1SCc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole?
The InChIKey is LQDUGARQHIEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-13-9-17-6-5-14(13)20-10-11-1-3-12(4-2-11)15-18-7-8-19-15/h1-9H,10H2.
What are the key properties of 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole?
2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole has a molecular weight of 286.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-pyridinyl)sulfanylmethyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 166359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).