5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one

C15H14N2O4 — CID 43741545

IUPAC5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14N2O4/c1-8(11-7-10(18)3-4-13(11)19)16-9-2-5-14-12(6-9)17-15(20)21-14/h2-8,16,18-19H,1H3,(H,17,20)
InChIKeyLJUAWMUOIIJZJA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.71
Rot. Bonds3

About 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one

5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741545) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one
PubChem CID43741545
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14N2O4/c1-8(11-7-10(18)3-4-13(11)19)16-9-2-5-14-12(6-9)17-15(20)21-14/h2-8,16,18-19H,1H3,(H,17,20)
InChIKeyLJUAWMUOIIJZJA-UHFFFAOYSA-N
XLogP2.71
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741517
5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741578
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
4-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile
CID 43741551
5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 83118011
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 95307128
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
CID 114829036

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one (CID 43741545) is 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one is CC(Nc1ccc2oc(=O)[nH]c2c1)c1cc(O)ccc1O.
What is the InChIKey of 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is LJUAWMUOIIJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8(11-7-10(18)3-4-13(11)19)16-9-2-5-14-12(6-9)17-15(20)21-14/h2-8,16,18-19H,1H3,(H,17,20).
What are the key properties of 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).