4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol

C15H15NO3 — CID 135501614

IUPAC4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
SMILESCC1(C)COC(c2cc(O)c(O)c3ccccc23)=N1
InChIInChI=1S/C15H15NO3/c1-15(2)8-19-14(16-15)11-7-12(17)13(18)10-6-4-3-5-9(10)11/h3-7,17-18H,8H2,1-2H3
InChIKeyPHOPOHVSQKFIEV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.81
Rot. Bonds1

About 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol

4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol (PubChem CID 135501614) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol.

Molecular Properties

Compound Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
PubChem CID135501614
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
SMILESCC1(C)COC(c2cc(O)c(O)c3ccccc23)=N1
InChIInChI=1S/C15H15NO3/c1-15(2)8-19-14(16-15)11-7-12(17)13(18)10-6-4-3-5-9(10)11/h3-7,17-18H,8H2,1-2H3
InChIKeyPHOPOHVSQKFIEV-UHFFFAOYSA-N
XLogP2.81
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol?
The IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol (CID 135501614) is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol.
What is the SMILES notation for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol?
The canonical SMILES for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol is CC1(C)COC(c2cc(O)c(O)c3ccccc23)=N1.
What is the InChIKey of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol?
The InChIKey is PHOPOHVSQKFIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2)8-19-14(16-15)11-7-12(17)13(18)10-6-4-3-5-9(10)11/h3-7,17-18H,8H2,1-2H3.
What are the key properties of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol?
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol is sourced from PubChem (CID 135501614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).