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

C12H10FNO2 — CID 115087344

IUPAC1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FNO2/c1-8(15)6-11-7-14-12(16-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyHZRPGMCYVZXGFK-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.61
Rot. Bonds3

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

1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one (PubChem CID 115087344) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
PubChem CID115087344
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FNO2/c1-8(15)6-11-7-14-12(16-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyHZRPGMCYVZXGFK-UHFFFAOYSA-N
XLogP2.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one (CID 115087344) is 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one is CC(=O)Cc1cnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one?
The InChIKey is HZRPGMCYVZXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-8(15)6-11-7-14-12(16-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one?
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one has a molecular weight of 219.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one is sourced from PubChem (CID 115087344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).