(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol

C15H13NO3 — CID 76851601

IUPAC(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
SMILESCOc1cc(CO)c2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H13NO3/c1-18-12-7-11(9-17)14-13(8-12)16-15(19-14)10-5-3-2-4-6-10/h2-8,17H,9H2,1H3
InChIKeyKKVFYAOKFOIJKX-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.00
Rot. Bonds3

About (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol

(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol (PubChem CID 76851601) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
PubChem CID76851601
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
SMILESCOc1cc(CO)c2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H13NO3/c1-18-12-7-11(9-17)14-13(8-12)16-15(19-14)10-5-3-2-4-6-10/h2-8,17H,9H2,1H3
InChIKeyKKVFYAOKFOIJKX-UHFFFAOYSA-N
XLogP3.00
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
2-phenyl-7-[2-[(2-phenyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-1,3-benzoxazole
CID 101078184
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
7-ethyl-5-nitro-2-phenyl-1,3-benzoxazole
CID 95911692
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde;5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 159318497
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol?
The IUPAC name of (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol (CID 76851601) is (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol.
What is the SMILES notation for (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol?
The canonical SMILES for (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol is COc1cc(CO)c2oc(-c3ccccc3)nc2c1.
What is the InChIKey of (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol?
The InChIKey is KKVFYAOKFOIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-12-7-11(9-17)14-13(8-12)16-15(19-14)10-5-3-2-4-6-10/h2-8,17H,9H2,1H3.
What are the key properties of (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol?
(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol has a molecular weight of 255.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol is sourced from PubChem (CID 76851601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).