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

C22H23ClFN5O2 — CID 22520103

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C22H23ClFN5O2/c23-17-2-1-3-19(15-17)29-12-10-28(11-13-29)9-8-25-21(30)22-27-26-20(31-22)14-16-4-6-18(24)7-5-16/h1-7,15H,8-14H2,(H,25,30)
InChIKeyRYONWDGQEMAKJX-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.00
Rot. Bonds7

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

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520103) has the molecular formula C22H23ClFN5O2 and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520103
Molecular FormulaC22H23ClFN5O2
Molecular Weight443.91 g/mol
Exact Mass443.15
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C22H23ClFN5O2/c23-17-2-1-3-19(15-17)29-12-10-28(11-13-29)9-8-25-21(30)22-27-26-20(31-22)14-16-4-6-18(24)7-5-16/h1-7,15H,8-14H2,(H,25,30)
InChIKeyRYONWDGQEMAKJX-UHFFFAOYSA-N
XLogP3.00
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22520103) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RYONWDGQEMAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O2/c23-17-2-1-3-19(15-17)29-12-10-28(11-13-29)9-8-25-21(30)22-27-26-20(31-22)14-16-4-6-18(24)7-5-16/h1-7,15H,8-14H2,(H,25,30).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 443.91 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).