1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one

C15H18N2O2 — CID 24950841

IUPAC1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnco1
InChIInChI=1S/C15H18N2O2/c18-14(15-17-16-12-19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
InChIKeySRGOKBDAYNCSOV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.45
Rot. Bonds8

About 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one

1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one (PubChem CID 24950841) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one
PubChem CID24950841
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnco1
InChIInChI=1S/C15H18N2O2/c18-14(15-17-16-12-19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
InChIKeySRGOKBDAYNCSOV-UHFFFAOYSA-N
XLogP3.45
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one?
The IUPAC name of 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one (CID 24950841) is 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one.
What is the SMILES notation for 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one?
The canonical SMILES for 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one is O=C(CCCCCCc1ccccc1)c1nnco1.
What is the InChIKey of 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one?
The InChIKey is SRGOKBDAYNCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(15-17-16-12-19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2.
What are the key properties of 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one?
1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one is sourced from PubChem (CID 24950841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).