2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol

C15H14N2O2 — CID 174575331

IUPAC2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
SMILESNC(Cc1ccccc1O)c1nc2ccccc2o1
InChIInChI=1S/C15H14N2O2/c16-11(9-10-5-1-3-7-13(10)18)15-17-12-6-2-4-8-14(12)19-15/h1-8,11,18H,9,16H2
InChIKeyVFNSHSKUGXAWIZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol

2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol (PubChem CID 174575331) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
PubChem CID174575331
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
SMILESNC(Cc1ccccc1O)c1nc2ccccc2o1
InChIInChI=1S/C15H14N2O2/c16-11(9-10-5-1-3-7-13(10)18)15-17-12-6-2-4-8-14(12)19-15/h1-8,11,18H,9,16H2
InChIKeyVFNSHSKUGXAWIZ-UHFFFAOYSA-N
XLogP2.78
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 55129005
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
3-(1,3-benzoxazol-2-yl)-4-oxo-4-sulfanylbutanoic acid;methanamine
CID 173413342
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
CID 116999943

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol?
The IUPAC name of 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol (CID 174575331) is 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol?
The canonical SMILES for 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol is NC(Cc1ccccc1O)c1nc2ccccc2o1.
What is the InChIKey of 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol?
The InChIKey is VFNSHSKUGXAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-11(9-10-5-1-3-7-13(10)18)15-17-12-6-2-4-8-14(12)19-15/h1-8,11,18H,9,16H2.
What are the key properties of 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol?
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol has a molecular weight of 254.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol is sourced from PubChem (CID 174575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).