4-fluoro-5-(3-methylphenyl)-1,2-oxazole

C10H8FNO — CID 151796662

IUPAC4-fluoro-5-(3-methylphenyl)-1,2-oxazole
SMILESCc1cccc(-c2oncc2F)c1
InChIInChI=1S/C10H8FNO/c1-7-3-2-4-8(5-7)10-9(11)6-12-13-10/h2-6H,1H3
InChIKeyRXSVVBNFCZZQBT-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.79
Rot. Bonds1

About 4-fluoro-5-(3-methylphenyl)-1,2-oxazole

4-fluoro-5-(3-methylphenyl)-1,2-oxazole (PubChem CID 151796662) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-fluoro-5-(3-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-fluoro-5-(3-methylphenyl)-1,2-oxazole
PubChem CID151796662
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-fluoro-5-(3-methylphenyl)-1,2-oxazole
SMILESCc1cccc(-c2oncc2F)c1
InChIInChI=1S/C10H8FNO/c1-7-3-2-4-8(5-7)10-9(11)6-12-13-10/h2-6H,1H3
InChIKeyRXSVVBNFCZZQBT-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-(3-methylphenyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(3-methylphenyl)-1,2-oxazole?
The IUPAC name of 4-fluoro-5-(3-methylphenyl)-1,2-oxazole (CID 151796662) is 4-fluoro-5-(3-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-fluoro-5-(3-methylphenyl)-1,2-oxazole?
The canonical SMILES for 4-fluoro-5-(3-methylphenyl)-1,2-oxazole is Cc1cccc(-c2oncc2F)c1.
What is the InChIKey of 4-fluoro-5-(3-methylphenyl)-1,2-oxazole?
The InChIKey is RXSVVBNFCZZQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-7-3-2-4-8(5-7)10-9(11)6-12-13-10/h2-6H,1H3.
What are the key properties of 4-fluoro-5-(3-methylphenyl)-1,2-oxazole?
4-fluoro-5-(3-methylphenyl)-1,2-oxazole has a molecular weight of 177.18 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(3-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 151796662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).