2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole

C31H26N4O2 — CID 67770357

IUPAC2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole
SMILESc1ccc(Cn2cnc(CCC(c3ccc(-c4ncco4)cc3)c3ccc(-c4ncco4)cc3)c2)cc1
InChIInChI=1S/C31H26N4O2/c1-2-4-23(5-3-1)20-35-21-28(34-22-35)14-15-29(24-6-10-26(11-7-24)30-32-16-18-36-30)25-8-12-27(13-9-25)31-33-17-19-37-31/h1-13,16-19,21-22,29H,14-15,20H2
InChIKeyFIYHIKFIIORHHP-UHFFFAOYSA-N
MW486.58 g/mol
LogP7.01
Rot. Bonds9

About 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole

2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole (PubChem CID 67770357) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole
PubChem CID67770357
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC Name2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole
SMILESc1ccc(Cn2cnc(CCC(c3ccc(-c4ncco4)cc3)c3ccc(-c4ncco4)cc3)c2)cc1
InChIInChI=1S/C31H26N4O2/c1-2-4-23(5-3-1)20-35-21-28(34-22-35)14-15-29(24-6-10-26(11-7-24)30-32-16-18-36-30)25-8-12-27(13-9-25)31-33-17-19-37-31/h1-13,16-19,21-22,29H,14-15,20H2
InChIKeyFIYHIKFIIORHHP-UHFFFAOYSA-N
XLogP7.01
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole (CID 67770357) is 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole is c1ccc(Cn2cnc(CCC(c3ccc(-c4ncco4)cc3)c3ccc(-c4ncco4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole?
The InChIKey is FIYHIKFIIORHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-2-4-23(5-3-1)20-35-21-28(34-22-35)14-15-29(24-6-10-26(11-7-24)30-32-16-18-36-30)25-8-12-27(13-9-25)31-33-17-19-37-31/h1-13,16-19,21-22,29H,14-15,20H2.
What are the key properties of 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole?
2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole has a molecular weight of 486.58 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-benzylimidazol-4-yl)-1-[4-(1,3-oxazol-2-yl)phenyl]propyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 67770357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).