[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol

C16H15NO3 — CID 76851593

IUPAC[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
SMILESCOc1ccc(-c2nc3cc(C)cc(CO)c3o2)cc1
InChIInChI=1S/C16H15NO3/c1-10-7-12(9-18)15-14(8-10)17-16(20-15)11-3-5-13(19-2)6-4-11/h3-8,18H,9H2,1-2H3
InChIKeyAJNCUCJXGCMHST-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.30
Rot. Bonds3

About [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol

[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol (PubChem CID 76851593) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
PubChem CID76851593
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
SMILESCOc1ccc(-c2nc3cc(C)cc(CO)c3o2)cc1
InChIInChI=1S/C16H15NO3/c1-10-7-12(9-18)15-14(8-10)17-16(20-15)11-3-5-13(19-2)6-4-11/h3-8,18H,9H2,1-2H3
InChIKeyAJNCUCJXGCMHST-UHFFFAOYSA-N
XLogP3.30
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
CID 76851601
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
2-amino-3-[3,5-dichloro-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methoxy]phenyl]propanoic acid
CID 10152348
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide
CID 10918642
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1048152

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol?
The IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol (CID 76851593) is [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol?
The canonical SMILES for [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol is COc1ccc(-c2nc3cc(C)cc(CO)c3o2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol?
The InChIKey is AJNCUCJXGCMHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-7-12(9-18)15-14(8-10)17-16(20-15)11-3-5-13(19-2)6-4-11/h3-8,18H,9H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol?
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol has a molecular weight of 269.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol is sourced from PubChem (CID 76851593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).