cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

C21H20N2O3 — CID 75402652

IUPACcyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)OC3CCCC3)cc2)o1
InChIInChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)20-23-22-19(26-20)15-10-12-16(13-11-15)21(24)25-17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8H2,1H3
InChIKeyXFPTVGUABHIEQU-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.81
Rot. Bonds4

About cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 75402652) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Namecyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID75402652
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namecyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)OC3CCCC3)cc2)o1
InChIInChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)20-23-22-19(26-20)15-10-12-16(13-11-15)21(24)25-17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8H2,1H3
InChIKeyXFPTVGUABHIEQU-UHFFFAOYSA-N
XLogP4.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 596995
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
2,5-Bis((1,1'-biphenyl)-4-yl)-1,3,4-oxadiazole
CID 96840
2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
CID 260000
Mls002695030
CID 260001
4-(5-(2-Methylphenyl)-1,3,4-oxadiazol-2-yl)benzoic acid
CID 16227570
Butyl 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetate
CID 3124448

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 75402652) is cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC3CCCC3)cc2)o1.
What is the InChIKey of cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is XFPTVGUABHIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)20-23-22-19(26-20)15-10-12-16(13-11-15)21(24)25-17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8H2,1H3.
What are the key properties of cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 348.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 75402652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).