1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol

C25H31NO4 — CID 67598182

IUPAC1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1
InChIInChI=1S/C25H31NO4/c1-4-5-6-10-13-22(27)20-14-15-23(24(16-20)28-3)29-17-21-18(2)30-25(26-21)19-11-8-7-9-12-19/h7-9,11-12,14-16,22,27H,4-6,10,13,17H2,1-3H3
InChIKeyLWBNKZPLEDMXLT-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.24
Rot. Bonds11

About 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol

1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol (PubChem CID 67598182) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol.

Molecular Properties

Compound Name1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
PubChem CID67598182
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1
InChIInChI=1S/C25H31NO4/c1-4-5-6-10-13-22(27)20-14-15-23(24(16-20)28-3)29-17-21-18(2)30-25(26-21)19-11-8-7-9-12-19/h7-9,11-12,14-16,22,27H,4-6,10,13,17H2,1-3H3
InChIKeyLWBNKZPLEDMXLT-UHFFFAOYSA-N
XLogP6.24
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol 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 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol?
The IUPAC name of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol (CID 67598182) is 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol.
What is the SMILES notation for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol?
The canonical SMILES for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol is CCCCCCC(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol?
The InChIKey is LWBNKZPLEDMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-4-5-6-10-13-22(27)20-14-15-23(24(16-20)28-3)29-17-21-18(2)30-25(26-21)19-11-8-7-9-12-19/h7-9,11-12,14-16,22,27H,4-6,10,13,17H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol?
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol has a molecular weight of 409.53 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol is sourced from PubChem (CID 67598182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).