2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole

C24H16ClN3O2 — CID 141083060

IUPAC2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2cnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C24H16ClN3O2/c25-20-11-9-17(10-12-20)21-15-26-23(29-21)18-7-4-8-19(14-18)24-28-27-22(30-24)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2
InChIKeyYANOQTLNWXKDKT-UHFFFAOYSA-N
MW413.86 g/mol
LogP6.30
Rot. Bonds5

About 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole

2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 141083060) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID141083060
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2cnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C24H16ClN3O2/c25-20-11-9-17(10-12-20)21-15-26-23(29-21)18-7-4-8-19(14-18)24-28-27-22(30-24)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2
InChIKeyYANOQTLNWXKDKT-UHFFFAOYSA-N
XLogP6.30
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
4-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19542259
4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid
CID 68976947
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
CID 59205808
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
CID 29132376
2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
CID 68978444
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
CID 102005962
2-(4-tert-butylphenyl)-5-[3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 66603361

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 141083060) is 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole is Clc1ccc(-c2cnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is YANOQTLNWXKDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-20-11-9-17(10-12-20)21-15-26-23(29-21)18-7-4-8-19(14-18)24-28-27-22(30-24)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2.
What are the key properties of 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 413.86 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141083060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).