[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C21H18ClFN2O3 — CID 7866171

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H18ClFN2O3/c22-16-7-3-14(4-8-16)19-25-24-18(28-19)13-27-20(26)21(11-1-2-12-21)15-5-9-17(23)10-6-15/h3-10H,1-2,11-13H2
InChIKeyZIRMTINLRTVSQA-UHFFFAOYSA-N
MW400.84 g/mol
LogP5.08
Rot. Bonds5

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7866171) has the molecular formula C21H18ClFN2O3 and a molecular weight of 400.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7866171
Molecular FormulaC21H18ClFN2O3
Molecular Weight400.84 g/mol
Exact Mass400.10
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H18ClFN2O3/c22-16-7-3-14(4-8-16)19-25-24-18(28-19)13-27-20(26)21(11-1-2-12-21)15-5-9-17(23)10-6-15/h3-10H,1-2,11-13H2
InChIKeyZIRMTINLRTVSQA-UHFFFAOYSA-N
XLogP5.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.84
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
CID 8610527
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate
CID 7866937
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8603212
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 71895585
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3344195
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16870134
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 25468617
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 7866171) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is ZIRMTINLRTVSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3/c22-16-7-3-14(4-8-16)19-25-24-18(28-19)13-27-20(26)21(11-1-2-12-21)15-5-9-17(23)10-6-15/h3-10H,1-2,11-13H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 400.84 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7866171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).