3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol

C11H12FNO3 — CID 59156468

IUPAC3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
SMILESCc1nc2ccc(OC(CO)CF)cc2o1
InChIInChI=1S/C11H12FNO3/c1-7-13-10-3-2-8(4-11(10)15-7)16-9(5-12)6-14/h2-4,9,14H,5-6H2,1H3
InChIKeyBPTNGWIEVNTZJO-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.85
Rot. Bonds4

About 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol

3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol (PubChem CID 59156468) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
PubChem CID59156468
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
SMILESCc1nc2ccc(OC(CO)CF)cc2o1
InChIInChI=1S/C11H12FNO3/c1-7-13-10-3-2-8(4-11(10)15-7)16-9(5-12)6-14/h2-4,9,14H,5-6H2,1H3
InChIKeyBPTNGWIEVNTZJO-UHFFFAOYSA-N
XLogP1.85
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The IUPAC name of 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol (CID 59156468) is 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The canonical SMILES for 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol is Cc1nc2ccc(OC(CO)CF)cc2o1.
What is the InChIKey of 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The InChIKey is BPTNGWIEVNTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7-13-10-3-2-8(4-11(10)15-7)16-9(5-12)6-14/h2-4,9,14H,5-6H2,1H3.
What are the key properties of 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol has a molecular weight of 225.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol is sourced from PubChem (CID 59156468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).