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

C21H22N2O2 — CID 91490806

IUPAC7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one
SMILESO=C(CCCCCc1ccccc1)Cc1nc(-c2ccncc2)co1
InChIInChI=1S/C21H22N2O2/c24-19(10-6-2-5-9-17-7-3-1-4-8-17)15-21-23-20(16-25-21)18-11-13-22-14-12-18/h1,3-4,7-8,11-14,16H,2,5-6,9-10,15H2
InChIKeyZVTCNLLFEBSCJY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.65
Rot. Bonds9

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

7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one (PubChem CID 91490806) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one.

Molecular Properties

Compound Name7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one
PubChem CID91490806
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one
SMILESO=C(CCCCCc1ccccc1)Cc1nc(-c2ccncc2)co1
InChIInChI=1S/C21H22N2O2/c24-19(10-6-2-5-9-17-7-3-1-4-8-17)15-21-23-20(16-25-21)18-11-13-22-14-12-18/h1,3-4,7-8,11-14,16H,2,5-6,9-10,15H2
InChIKeyZVTCNLLFEBSCJY-UHFFFAOYSA-N
XLogP4.65
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.65
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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Related Compounds

1-(4-methylsulfanyl-1,3-oxazol-2-yl)-7-phenylheptan-2-one
CID 91384708
7-phenyl-1-[4-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]heptan-2-one
CID 91176666
1,9-diphenylnonan-5-one
CID 23467830
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
1-[3-(6-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-2-one
CID 91589490
6-pyridin-4-ylhexanoic acid
CID 12904562
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
1-(3-hydroxyphenyl)-12-phenyldodecan-2-one
CID 86118623
15-phenylpentadecanoic acid
CID 2737151
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
13-phenyltridecane-2,4-dione
CID 19792481
16-phenyl-1-(trifluoromethoxy)hexadecan-2-one
CID 70498618

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one?
The IUPAC name of 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one (CID 91490806) is 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one.
What is the SMILES notation for 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one?
The canonical SMILES for 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one is O=C(CCCCCc1ccccc1)Cc1nc(-c2ccncc2)co1.
What is the InChIKey of 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one?
The InChIKey is ZVTCNLLFEBSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19(10-6-2-5-9-17-7-3-1-4-8-17)15-21-23-20(16-25-21)18-11-13-22-14-12-18/h1,3-4,7-8,11-14,16H,2,5-6,9-10,15H2.
What are the key properties of 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one?
7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(4-pyridin-4-yl-1,3-oxazol-2-yl)heptan-2-one is sourced from PubChem (CID 91490806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).