6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one

C15H14N2O2 — CID 82499590

IUPAC6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
SMILESNCC(c1ccccc1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H14N2O2/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)19-15(18)17-13/h1-8,12H,9,16H2,(H,17,18)
InChIKeyCSTAWYMEXNCPAY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.21
Rot. Bonds3

About 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one

6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 82499590) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
PubChem CID82499590
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
SMILESNCC(c1ccccc1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H14N2O2/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)19-15(18)17-13/h1-8,12H,9,16H2,(H,17,18)
InChIKeyCSTAWYMEXNCPAY-UHFFFAOYSA-N
XLogP2.21
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 116835096
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322363
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116949062
3-amino-4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 82348543
6-[4-amino-1-(dimethylamino)butyl]-3H-1,3-benzoxazol-2-one
CID 116905182
6-[chloro-(3-iodophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61084010

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one (CID 82499590) is 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one is NCC(c1ccccc1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is CSTAWYMEXNCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)19-15(18)17-13/h1-8,12H,9,16H2,(H,17,18).
What are the key properties of 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one?
6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82499590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).