2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine

C15H14N2O2 — CID 10377607

IUPAC2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2c(-c3ccccc3)cccc12
InChIInChI=1S/C15H14N2O2/c16-9-10-18-15-13-8-4-7-12(14(13)19-17-15)11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyWMTLDDCOASWMNW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.83
Rot. Bonds4

About 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine

2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine (PubChem CID 10377607) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
PubChem CID10377607
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2c(-c3ccccc3)cccc12
InChIInChI=1S/C15H14N2O2/c16-9-10-18-15-13-8-4-7-12(14(13)19-17-15)11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyWMTLDDCOASWMNW-UHFFFAOYSA-N
XLogP2.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
CID 84665269
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
CID 174392250
3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide
CID 18696123
3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
CID 18696060
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
(2,6-diphenylphenyl)methanamine
CID 72713892
N-(2-aminoethoxy)-1,2-benzoxazol-3-amine
CID 18696093
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
2-(6-phenylpyridazin-3-yl)oxyethanamine
CID 52903526

Frequently Asked Questions

What is the IUPAC name of 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine (CID 10377607) is 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine is NCCOc1noc2c(-c3ccccc3)cccc12.
What is the InChIKey of 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
The InChIKey is WMTLDDCOASWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-9-10-18-15-13-8-4-7-12(14(13)19-17-15)11-5-2-1-3-6-11/h1-8H,9-10,16H2.
What are the key properties of 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine?
2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine has a molecular weight of 254.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 10377607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).