N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C18H15ClFN3O2 — CID 15989843

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H15ClFN3O2/c19-14-5-1-12(2-6-14)9-10-21-17(24)18-23-22-16(25-18)11-13-3-7-15(20)8-4-13/h1-8H,9-11H2,(H,21,24)
InChIKeyDUKPXDXLWSJKKV-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989843) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989843
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H15ClFN3O2/c19-14-5-1-12(2-6-14)9-10-21-17(24)18-23-22-16(25-18)11-13-3-7-15(20)8-4-13/h1-8H,9-11H2,(H,21,24)
InChIKeyDUKPXDXLWSJKKV-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorobenzyl)-N-phenethyl-1,3,4-oxadiazole-2-carboxamide
CID 16017897
[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5309782
5-(4-chlorobenzyl)-N-(4-methylbenzyl)-1,3,4-oxadiazole-2-carboxamide
CID 15989829
5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 666851
5-(2-chloro-6-fluorobenzyl)-N-(3-hydroxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 2036928
5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 5308953
5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621783
5-[(4-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017929
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 667124
5-[(3-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017909
5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 5307743
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989843) is N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DUKPXDXLWSJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-14-5-1-12(2-6-14)9-10-21-17(24)18-23-22-16(25-18)11-13-3-7-15(20)8-4-13/h1-8H,9-11H2,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).