N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H28FN5O2 — CID 3237273

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28FN5O2/c25-21-9-5-4-8-20(21)24-27-23(32-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,26,31)
InChIKeySICFNZRLZZTLSV-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.74
Rot. Bonds9

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3237273) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3237273
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28FN5O2/c25-21-9-5-4-8-20(21)24-27-23(32-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,26,31)
InChIKeySICFNZRLZZTLSV-UHFFFAOYSA-N
XLogP2.74
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3237273) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is SICFNZRLZZTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c25-21-9-5-4-8-20(21)24-27-23(32-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,26,31).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3237273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).