7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one

C22H23NO2 — CID 44554614

IUPAC7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc(-c2ccccc2)co1
InChIInChI=1S/C22H23NO2/c24-21(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-20(17-25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
InChIKeyXOLGPHAVLXMSGU-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.72
Rot. Bonds9

About 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one

7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 44554614) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID44554614
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc(-c2ccccc2)co1
InChIInChI=1S/C22H23NO2/c24-21(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-20(17-25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
InChIKeyXOLGPHAVLXMSGU-UHFFFAOYSA-N
XLogP5.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyloxazole
CID 168750
2-(7-Phenylheptanoyl)oxazole-4-carbonitrile
CID 25147546
4-Phenyl-1,3-oxazole
CID 589279
5-Methyl-4-phenyl-1,3-oxazole-2-carboxamide
CID 2739606
(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
1-(4-Methyloxazol-2-yl)-7-phenylheptan-1-one
CID 44554442
2-(7-Phenylheptanoyl)oxazole-4-carbaldehyde
CID 44554445
1-(4-Acetyloxazol-2-yl)-7-phenylheptan-1-one
CID 44554446
7-Phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan-1-one
CID 44554611
7-Phenyl-1-(4-(pyridin-3-yl)oxazol-2-yl)heptan-1-one
CID 44554612
7-Phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-one
CID 44554613
7-Phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 44554787

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one (CID 44554614) is 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1nc(-c2ccccc2)co1.
What is the InChIKey of 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is XOLGPHAVLXMSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-20(17-25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2.
What are the key properties of 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one?
7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 333.43 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 44554614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).