4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol

C11H12FNO2 — CID 170652270

IUPAC4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(C(C)C)cc2o1
InChIInChI=1S/C11H12FNO2/c1-5(2)7-4-8-10(9(12)11(7)14)13-6(3)15-8/h4-5,14H,1-3H3
InChIKeyPTQZZIWETSSIFA-UHFFFAOYSA-N
MW209.22 g/mol
LogP3.10
Rot. Bonds1

About 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol

4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol (PubChem CID 170652270) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol
PubChem CID170652270
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(C(C)C)cc2o1
InChIInChI=1S/C11H12FNO2/c1-5(2)7-4-8-10(9(12)11(7)14)13-6(3)15-8/h4-5,14H,1-3H3
InChIKeyPTQZZIWETSSIFA-UHFFFAOYSA-N
XLogP3.10
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole
CID 176929490
4-methoxy-2-methyl-6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine
CID 167500665
1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 175597034
CID 175952399
CID 175952399
2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 134301977
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol
CID 168977590
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
2,3,6-trifluoro-5-propan-2-ylphenol
CID 58359018
2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
CID 25134493
6,8-difluoro-7-hydroxy-3-propan-2-ylchromen-2-one
CID 130353462

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol?
The IUPAC name of 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol (CID 170652270) is 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol?
The canonical SMILES for 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol is Cc1nc2c(F)c(O)c(C(C)C)cc2o1.
What is the InChIKey of 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol?
The InChIKey is PTQZZIWETSSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-5(2)7-4-8-10(9(12)11(7)14)13-6(3)15-8/h4-5,14H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol?
4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol has a molecular weight of 209.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 170652270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).