5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one

C11H10FNO2 — CID 105459937

IUPAC5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
SMILESCCc1oc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-9-10(13-11(14)15-9)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,14)
InChIKeyOPFCIXZICMQXCP-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.34
Rot. Bonds2

About 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one

5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one (PubChem CID 105459937) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
PubChem CID105459937
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
SMILESCCc1oc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-9-10(13-11(14)15-9)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,14)
InChIKeyOPFCIXZICMQXCP-UHFFFAOYSA-N
XLogP2.34
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one (CID 105459937) is 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one is CCc1oc(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one?
The InChIKey is OPFCIXZICMQXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-9-10(13-11(14)15-9)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one?
5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one has a molecular weight of 207.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).