2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole

C10H10FNO — CID 91401288

IUPAC2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
SMILESCC1=C(F)C=C(c2ncco2)CC1
InChIInChI=1S/C10H10FNO/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h4-6H,2-3H2,1H3
InChIKeyXTNAWPICLOBMDD-UHFFFAOYSA-N
MW179.19 g/mol
LogP3.10
Rot. Bonds1

About 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole

2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole (PubChem CID 91401288) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
PubChem CID91401288
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
SMILESCC1=C(F)C=C(c2ncco2)CC1
InChIInChI=1S/C10H10FNO/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h4-6H,2-3H2,1H3
InChIKeyXTNAWPICLOBMDD-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-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 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The IUPAC name of 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole (CID 91401288) is 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole is CC1=C(F)C=C(c2ncco2)CC1.
What is the InChIKey of 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The InChIKey is XTNAWPICLOBMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h4-6H,2-3H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole has a molecular weight of 179.19 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole is sourced from PubChem (CID 91401288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).