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

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Related Compounds

Imiglitazar
CID 9890879
AD 5075
CID 128440
Dimethyl 4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)benzylmalonate
CID 6918417
2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 9866203
(S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 10004270
2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402
(3E)-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-propoxyiminobutanoic acid
CID 11751301
Diethyl 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylmalonate
CID 11797860
(2s,5s)-2-Methyl-5-(4-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benzyl)-1,3-dioxane-2-carboxylic acid
CID 25147673
(3E)-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-(2-methylpropoxyimino)butanoic acid
CID 25263403
2-Methyl-5-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-[1,3]dioxane-2-carboxylic acid
CID 44577534
{3-[(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)methoxy]phenyl}methanol
CID 11140977

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).