1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C13H12FNO3S — CID 103520159

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)co2)cc1F
InChIInChI=1S/C13H12FNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyOBQSWDPOTAXVNY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.11
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520159) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520159
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)co2)cc1F
InChIInChI=1S/C13H12FNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyOBQSWDPOTAXVNY-UHFFFAOYSA-N
XLogP3.11
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-(4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175087
1-[4-(Difluoromethoxy)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 56807359
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520139
1-(2,5-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520140
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520176
1-(2-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520225
1-(3,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520241
Methyl 2-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzoate
CID 103520248
1-(4-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520252
1-[2-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 103695347
3-Fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 103850018
3-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 103850098

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520159) is 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is COc1ccc(C(=O)CSc2nc(C)co2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is OBQSWDPOTAXVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 281.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).