2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole

C21H24N2O — CID 11267182

IUPAC2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(CCCCCCCc2ncc(-c3ccccn3)o2)cc1
InChIInChI=1S/C21H24N2O/c1(2-5-11-18-12-6-4-7-13-18)3-8-15-21-23-17-20(24-21)19-14-9-10-16-22-19/h4,6-7,9-10,12-14,16-17H,1-3,5,8,11,15H2
InChIKeyBJGKCHFZGDBZEX-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.47
Rot. Bonds9

About 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole

2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole (PubChem CID 11267182) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole
PubChem CID11267182
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(CCCCCCCc2ncc(-c3ccccn3)o2)cc1
InChIInChI=1S/C21H24N2O/c1(2-5-11-18-12-6-4-7-13-18)3-8-15-21-23-17-20(24-21)19-14-9-10-16-22-19/h4,6-7,9-10,12-14,16-17H,1-3,5,8,11,15H2
InChIKeyBJGKCHFZGDBZEX-UHFFFAOYSA-N
XLogP5.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.47
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

OL-135
CID 10427006
1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole (CID 11267182) is 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole is c1ccc(CCCCCCCc2ncc(-c3ccccn3)o2)cc1.
What is the InChIKey of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole?
The InChIKey is BJGKCHFZGDBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1(2-5-11-18-12-6-4-7-13-18)3-8-15-21-23-17-20(24-21)19-14-9-10-16-22-19/h4,6-7,9-10,12-14,16-17H,1-3,5,8,11,15H2.
What are the key properties of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole?
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole has a molecular weight of 320.44 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 11267182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).