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

C10H10FNO — CID 151855437

IUPAC4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(F)cc1C1COC=N1
InChIInChI=1S/C10H10FNO/c1-7-2-3-8(11)4-9(7)10-5-13-6-12-10/h2-4,6,10H,5H2,1H3
InChIKeySJOXEWXIEBGZPF-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.23
Rot. Bonds1

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

4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 151855437) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID151855437
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(F)cc1C1COC=N1
InChIInChI=1S/C10H10FNO/c1-7-2-3-8(11)4-9(7)10-5-13-6-12-10/h2-4,6,10H,5H2,1H3
InChIKeySJOXEWXIEBGZPF-UHFFFAOYSA-N
XLogP2.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-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-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 151855437) is 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(F)cc1C1COC=N1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SJOXEWXIEBGZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-2-3-8(11)4-9(7)10-5-13-6-12-10/h2-4,6,10H,5H2,1H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole?
4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 179.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 151855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).