N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide

C15H21N7O2 — CID 140510666

IUPACN'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\O)c1nonc1NCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H21N7O2/c16-14(19-23)13-15(21-24-20-13)18-9-11-1-3-12(4-2-11)10-22-7-5-17-6-8-22/h1-4,17,23H,5-10H2,(H2,16,19)(H,18,21)
InChIKeyFBBFSBZMKGTKSK-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.18
Rot. Bonds6

About N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 140510666) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID140510666
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\O)c1nonc1NCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H21N7O2/c16-14(19-23)13-15(21-24-20-13)18-9-11-1-3-12(4-2-11)10-22-7-5-17-6-8-22/h1-4,17,23H,5-10H2,(H2,16,19)(H,18,21)
InChIKeyFBBFSBZMKGTKSK-UHFFFAOYSA-N
XLogP0.18
TPSA124.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
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CID 24701931
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
N'-(3-bromo-4-fluorophenyl)-4-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159551541
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
azane;1-benzylpiperazine
CID 174866973
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 155402904

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 140510666) is N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\O)c1nonc1NCc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FBBFSBZMKGTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c16-14(19-23)13-15(21-24-20-13)18-9-11-1-3-12(4-2-11)10-22-7-5-17-6-8-22/h1-4,17,23H,5-10H2,(H2,16,19)(H,18,21).
What are the key properties of N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 331.38 g/mol, XLogP of 0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 140510666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).