2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol

C16H16N2O3 — CID 107712120

IUPAC2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
SMILESNc1cccc2oc(COc3ccccc3CCO)nc12
InChIInChI=1S/C16H16N2O3/c17-12-5-3-7-14-16(12)18-15(21-14)10-20-13-6-2-1-4-11(13)8-9-19/h1-7,19H,8-10,17H2
InChIKeyPAEHLVULOLUQQV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol

2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 107712120) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
PubChem CID107712120
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
SMILESNc1cccc2oc(COc3ccccc3CCO)nc12
InChIInChI=1S/C16H16N2O3/c17-12-5-3-7-14-16(12)18-15(21-14)10-20-13-6-2-1-4-11(13)8-9-19/h1-7,19H,8-10,17H2
InChIKeyPAEHLVULOLUQQV-UHFFFAOYSA-N
XLogP2.52
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998854
2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79997949
2-[(4-bromophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79022080
2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
CID 107712137
2-[(4-methylsulfanylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79999898
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 79022482
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 79994775
2-[2-[(6-hydrazinyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107714111
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
CID 79999709
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine
CID 82004432

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol (CID 107712120) is 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol is Nc1cccc2oc(COc3ccccc3CCO)nc12.
What is the InChIKey of 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is PAEHLVULOLUQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-12-5-3-7-14-16(12)18-15(21-14)10-20-13-6-2-1-4-11(13)8-9-19/h1-7,19H,8-10,17H2.
What are the key properties of 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol?
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 284.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107712120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).