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

C25H24N2O2 — CID 16735380

IUPAC7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1cccc2ccccc12)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2
InChIKeyUNQRPHQCMZCRIG-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.27
Rot. Bonds9

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

7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 16735380) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID16735380
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1cccc2ccccc12)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2
InChIKeyUNQRPHQCMZCRIG-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

OL-135
CID 10427006
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
7-(2,3-Dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735549
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (CID 16735380) is 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is O=C(CCCCCCc1cccc2ccccc12)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is UNQRPHQCMZCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2.
What are the key properties of 7-naphthalen-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
7-naphthalen-1-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-1-yl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 16735380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).