2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one

C14H14FNO2S — CID 103607407

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one
SMILESCc1nc(SC(C)C(=O)c2ccc(F)cc2)oc1C
InChIInChI=1S/C14H14FNO2S/c1-8-9(2)18-14(16-8)19-10(3)13(17)11-4-6-12(15)7-5-11/h4-7,10H,1-3H3
InChIKeyRPWGBPIRIZLHEK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.79
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one (PubChem CID 103607407) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one
PubChem CID103607407
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one
SMILESCc1nc(SC(C)C(=O)c2ccc(F)cc2)oc1C
InChIInChI=1S/C14H14FNO2S/c1-8-9(2)18-14(16-8)19-10(3)13(17)11-4-6-12(15)7-5-11/h4-7,10H,1-3H3
InChIKeyRPWGBPIRIZLHEK-UHFFFAOYSA-N
XLogP3.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 129175068
(E)-1-(4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175087
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 9457338
1-(2,5-Difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 53587719
1-[4-(Difluoromethoxy)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 56807359
2-[(2,3-Difluorophenyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 60436709
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one
CID 71896984
(3R)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one
CID 94147565
(3S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one
CID 94147566
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-fluorobenzonitrile
CID 94147600
(2S)-1-(2,5-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 95307635
(2R)-1-(2,5-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 95307636

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one (CID 103607407) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one is Cc1nc(SC(C)C(=O)c2ccc(F)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is RPWGBPIRIZLHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-8-9(2)18-14(16-8)19-10(3)13(17)11-4-6-12(15)7-5-11/h4-7,10H,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 103607407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).