[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol

C15H13NO2 — CID 82357845

IUPAC[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
SMILESCc1ccccc1-c1nc2cc(CO)ccc2o1
InChIInChI=1S/C15H13NO2/c1-10-4-2-3-5-12(10)15-16-13-8-11(9-17)6-7-14(13)18-15/h2-8,17H,9H2,1H3
InChIKeyOMYNDTVDPPMBCQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.30
Rot. Bonds2

About [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol

[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 82357845) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID82357845
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
SMILESCc1ccccc1-c1nc2cc(CO)ccc2o1
InChIInChI=1S/C15H13NO2/c1-10-4-2-3-5-12(10)15-16-13-8-11(9-17)6-7-14(13)18-15/h2-8,17H,9H2,1H3
InChIKeyOMYNDTVDPPMBCQ-UHFFFAOYSA-N
XLogP3.30
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
[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-6-amine
CID 6457922
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol (CID 82357845) is [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol is Cc1ccccc1-c1nc2cc(CO)ccc2o1.
What is the InChIKey of [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is OMYNDTVDPPMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-4-2-3-5-12(10)15-16-13-8-11(9-17)6-7-14(13)18-15/h2-8,17H,9H2,1H3.
What are the key properties of [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 239.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 82357845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).