[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H19N5O — CID 120752482

IUPAC[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C14H19N5O/c15-10-14-16-13(17-20-14)11-18-6-8-19(9-7-18)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyRHRVASOHQUJTTB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.85
Rot. Bonds4

About [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752482) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752482
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C14H19N5O/c15-10-14-16-13(17-20-14)11-18-6-8-19(9-7-18)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyRHRVASOHQUJTTB-UHFFFAOYSA-N
XLogP0.85
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752473
3-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120751907
[3-[[4-(2,5-difluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752944
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845
[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752523
2-[2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]phenoxy]-N,N-dimethylethanamine
CID 120753112
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120751079
[3-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752858
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607

Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752482) is [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is RHRVASOHQUJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-10-14-16-13(17-20-14)11-18-6-8-19(9-7-18)12-4-2-1-3-5-12/h1-5H,6-11,15H2.
What are the key properties of [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).