4-fluoro-2-propan-2-yl-1,3-benzoxazole

C10H10FNO — CID 59589274

IUPAC4-fluoro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2c(F)cccc2o1
InChIInChI=1S/C10H10FNO/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,1-2H3
InChIKeyMGKJZHUFTLOOGQ-UHFFFAOYSA-N
MW179.19 g/mol
LogP3.09
Rot. Bonds1

About 4-fluoro-2-propan-2-yl-1,3-benzoxazole

4-fluoro-2-propan-2-yl-1,3-benzoxazole (PubChem CID 59589274) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-propan-2-yl-1,3-benzoxazole
PubChem CID59589274
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-fluoro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2c(F)cccc2o1
InChIInChI=1S/C10H10FNO/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,1-2H3
InChIKeyMGKJZHUFTLOOGQ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2-propan-2-yl-1,3-benzoxazole 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-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-propan-2-yl-1,3-benzoxazole (CID 59589274) is 4-fluoro-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2c(F)cccc2o1.
What is the InChIKey of 4-fluoro-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is MGKJZHUFTLOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,1-2H3.
What are the key properties of 4-fluoro-2-propan-2-yl-1,3-benzoxazole?
4-fluoro-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 179.19 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 59589274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).