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

C10H8FNO2 — CID 67982166

IUPAC4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyKIDBBJFAWLEQTK-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.08
Rot. Bonds1

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

4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one (PubChem CID 67982166) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one
PubChem CID67982166
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyKIDBBJFAWLEQTK-UHFFFAOYSA-N
XLogP2.08
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one (CID 67982166) is 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one is Cc1oc(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one?
The InChIKey is KIDBBJFAWLEQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one?
4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one has a molecular weight of 193.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 67982166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).