1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate

C15H11NO5 — CID 154771054

IUPAC1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccno1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C15H11NO5/c17-13-7-12(14(18)11-4-2-1-3-10(11)13)15(19)20-8-9-5-6-16-21-9/h1-7,17-18H,8H2
InChIKeyBUFMUPWXADJLRL-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.60
Rot. Bonds3

About 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate

1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate (PubChem CID 154771054) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
PubChem CID154771054
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccno1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C15H11NO5/c17-13-7-12(14(18)11-4-2-1-3-10(11)13)15(19)20-8-9-5-6-16-21-9/h1-7,17-18H,8H2
InChIKeyBUFMUPWXADJLRL-UHFFFAOYSA-N
XLogP2.60
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
CID 71898738
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716
(4-cyanophenyl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 5132964
2,3-dihydro-1,4-benzodioxin-6-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 94942522
2-phenoxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 4650787
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 92518637
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(butylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553014
[2-(4-ethylphenyl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228493
2-(4-bromophenoxy)ethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 3511092
[2-(1H-indol-3-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 3255141

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate?
The IUPAC name of 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate (CID 154771054) is 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate?
The canonical SMILES for 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate is O=C(OCc1ccno1)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate?
The InChIKey is BUFMUPWXADJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-13-7-12(14(18)11-4-2-1-3-10(11)13)15(19)20-8-9-5-6-16-21-9/h1-7,17-18H,8H2.
What are the key properties of 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate?
1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate has a molecular weight of 285.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 154771054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).