[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol

C20H16N2O3 — CID 155087050

IUPAC[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C(Oc2ccc3ncccc3c2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O3/c23-12-16-13-24-20(22-16)19(14-5-2-1-3-6-14)25-17-8-9-18-15(11-17)7-4-10-21-18/h1-11,13,19,23H,12H2
InChIKeyTXTYOFFKNMVQSI-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.88
Rot. Bonds5

About [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol

[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol (PubChem CID 155087050) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
PubChem CID155087050
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C(Oc2ccc3ncccc3c2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O3/c23-12-16-13-24-20(22-16)19(14-5-2-1-3-6-14)25-17-8-9-18-15(11-17)7-4-10-21-18/h1-11,13,19,23H,12H2
InChIKeyTXTYOFFKNMVQSI-UHFFFAOYSA-N
XLogP3.88
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol 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 [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol (CID 155087050) is [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol is OCc1coc(C(Oc2ccc3ncccc3c2)c2ccccc2)n1.
What is the InChIKey of [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is TXTYOFFKNMVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-12-16-13-24-20(22-16)19(14-5-2-1-3-6-14)25-17-8-9-18-15(11-17)7-4-10-21-18/h1-11,13,19,23H,12H2.
What are the key properties of [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol?
[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 332.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 155087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).