[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol

C12H13F2NO2 — CID 166557542

IUPAC[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
SMILESCC(C)c1nc2cc(CO)cc(C(F)F)c2o1
InChIInChI=1S/C12H13F2NO2/c1-6(2)12-15-9-4-7(5-16)3-8(11(13)14)10(9)17-12/h3-4,6,11,16H,5H2,1-2H3
InChIKeyKTRPGTGWYROIQL-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.38
Rot. Bonds3

About [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol

[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol (PubChem CID 166557542) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
PubChem CID166557542
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
SMILESCC(C)c1nc2cc(CO)cc(C(F)F)c2o1
InChIInChI=1S/C12H13F2NO2/c1-6(2)12-15-9-4-7(5-16)3-8(11(13)14)10(9)17-12/h3-4,6,11,16H,5H2,1-2H3
InChIKeyKTRPGTGWYROIQL-UHFFFAOYSA-N
XLogP3.38
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
CID 166556824
7-fluoro-5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-benzoxazole
CID 166557061
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
CID 166557495
oxolane;[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanamine
CID 166557567
5-(methylaminomethyl)-2-propan-2-yl-1,3-benzoxazole-7-carbonitrile
CID 166557740
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
CID 166557075
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
CID 84686461
2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
CID 82232029
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol (CID 166557542) is [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol is CC(C)c1nc2cc(CO)cc(C(F)F)c2o1.
What is the InChIKey of [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol?
The InChIKey is KTRPGTGWYROIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-6(2)12-15-9-4-7(5-16)3-8(11(13)14)10(9)17-12/h3-4,6,11,16H,5H2,1-2H3.
What are the key properties of [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol?
[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol has a molecular weight of 241.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 166557542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).