(2-fluoro-1,3-benzoxazol-5-yl)methanol

C8H6FNO2 — CID 131118958

IUPAC(2-fluoro-1,3-benzoxazol-5-yl)methanol
SMILESOCc1ccc2oc(F)nc2c1
InChIInChI=1S/C8H6FNO2/c9-8-10-6-3-5(4-11)1-2-7(6)12-8/h1-3,11H,4H2
InChIKeyNFMNCAQFBXSAOG-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.46
Rot. Bonds1

About (2-fluoro-1,3-benzoxazol-5-yl)methanol

(2-fluoro-1,3-benzoxazol-5-yl)methanol (PubChem CID 131118958) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is (2-fluoro-1,3-benzoxazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1,3-benzoxazol-5-yl)methanol
PubChem CID131118958
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name(2-fluoro-1,3-benzoxazol-5-yl)methanol
SMILESOCc1ccc2oc(F)nc2c1
InChIInChI=1S/C8H6FNO2/c9-8-10-6-3-5(4-11)1-2-7(6)12-8/h1-3,11H,4H2
InChIKeyNFMNCAQFBXSAOG-UHFFFAOYSA-N
XLogP1.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
2-fluoro-5-iodo-1,3-benzoxazole
CID 130787084
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
2-chloro-1-(2-fluoro-1,3-benzoxazol-5-yl)ethanone
CID 130967524
[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357843
[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
CID 82357890
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
CID 171810699
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1,3-benzoxazol-5-yl)methanol?
The IUPAC name of (2-fluoro-1,3-benzoxazol-5-yl)methanol (CID 131118958) is (2-fluoro-1,3-benzoxazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-1,3-benzoxazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-1,3-benzoxazol-5-yl)methanol is OCc1ccc2oc(F)nc2c1.
What is the InChIKey of (2-fluoro-1,3-benzoxazol-5-yl)methanol?
The InChIKey is NFMNCAQFBXSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-8-10-6-3-5(4-11)1-2-7(6)12-8/h1-3,11H,4H2.
What are the key properties of (2-fluoro-1,3-benzoxazol-5-yl)methanol?
(2-fluoro-1,3-benzoxazol-5-yl)methanol has a molecular weight of 167.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1,3-benzoxazol-5-yl)methanol is sourced from PubChem (CID 131118958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).