7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

C25H24N2O2 — CID 16736617

IUPAC7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccc2ccccc2c1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-12-7-8-16-26-22)13-4-2-1-3-9-19-14-15-20-10-5-6-11-21(20)17-19/h5-8,10-12,14-18H,1-4,9,13H2
InChIKeyDOQYHNYWFHIVPS-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.27
Rot. Bonds9

About 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 16736617) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID16736617
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccc2ccccc2c1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-12-7-8-16-26-22)13-4-2-1-3-9-19-14-15-20-10-5-6-11-21(20)17-19/h5-8,10-12,14-18H,1-4,9,13H2
InChIKeyDOQYHNYWFHIVPS-UHFFFAOYSA-N
XLogP6.27
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.27
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 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (CID 16736617) is 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is DOQYHNYWFHIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-12-7-8-16-26-22)13-4-2-1-3-9-19-14-15-20-10-5-6-11-21(20)17-19/h5-8,10-12,14-18H,1-4,9,13H2.
What are the key properties of 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 384.48 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 16736617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).