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

C15H14N2O3 — CID 83970982

IUPAC[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
SMILESCOc1ccc(-c2nc3cc(CO)ccc3o2)cc1N
InChIInChI=1S/C15H14N2O3/c1-19-13-5-3-10(7-11(13)16)15-17-12-6-9(8-18)2-4-14(12)20-15/h2-7,18H,8,16H2,1H3
InChIKeyLDKZWZSGBZHDQK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.58
Rot. Bonds3

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

[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 83970982) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID83970982
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
SMILESCOc1ccc(-c2nc3cc(CO)ccc3o2)cc1N
InChIInChI=1S/C15H14N2O3/c1-19-13-5-3-10(7-11(13)16)15-17-12-6-9(8-18)2-4-14(12)20-15/h2-7,18H,8,16H2,1H3
InChIKeyLDKZWZSGBZHDQK-UHFFFAOYSA-N
XLogP2.58
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
2-chloro-N'-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367271
N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
CID 137133301
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387

Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol (CID 83970982) is [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol is COc1ccc(-c2nc3cc(CO)ccc3o2)cc1N.
What is the InChIKey of [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is LDKZWZSGBZHDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-13-5-3-10(7-11(13)16)15-17-12-6-9(8-18)2-4-14(12)20-15/h2-7,18H,8,16H2,1H3.
What are the key properties of [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 270.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 83970982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).