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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Related Compounds

4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 665654
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9266827
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-phenylcyclopropyl)-4-(3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45269104
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
(2S,3S)-2-amino-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645689
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645692
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645695

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).