1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one

C12H10FNO2S — CID 106923921

IUPAC1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one
SMILESO=C(CSc1ncco1)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)7-11(15)8-17-12-14-5-6-16-12/h1-6H,7-8H2
InChIKeyYRPARUMLJLXXQK-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one

1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one (PubChem CID 106923921) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one
PubChem CID106923921
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one
SMILESO=C(CSc1ncco1)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)7-11(15)8-17-12-14-5-6-16-12/h1-6H,7-8H2
InChIKeyYRPARUMLJLXXQK-UHFFFAOYSA-N
XLogP2.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluoro-3-methylphenyl)methylsulfonyl]-1,3-oxazole
CID 67022678
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761
2-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921768
1-(2-Fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106921811

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one (CID 106923921) is 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one is O=C(CSc1ncco1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one?
The InChIKey is YRPARUMLJLXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)7-11(15)8-17-12-14-5-6-16-12/h1-6H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one?
1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one has a molecular weight of 251.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one is sourced from PubChem (CID 106923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).