4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide

C24H30N6O2 — CID 111185010

IUPAC4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide
SMILESCCCc1noc(-c2cccc(CN/C(=N\C)N3CCN(c4ccccc4O)CC3)c2)n1
InChIInChI=1S/C24H30N6O2/c1-3-7-22-27-23(32-28-22)19-9-6-8-18(16-19)17-26-24(25-2)30-14-12-29(13-15-30)20-10-4-5-11-21(20)31/h4-6,8-11,16,31H,3,7,12-15,17H2,1-2H3,(H,25,26)
InChIKeyRUFRBIWXZSKQRV-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.29
Rot. Bonds6

About 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide

4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide (PubChem CID 111185010) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide
PubChem CID111185010
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide
SMILESCCCc1noc(-c2cccc(CN/C(=N\C)N3CCN(c4ccccc4O)CC3)c2)n1
InChIInChI=1S/C24H30N6O2/c1-3-7-22-27-23(32-28-22)19-9-6-8-18(16-19)17-26-24(25-2)30-14-12-29(13-15-30)20-10-4-5-11-21(20)31/h4-6,8-11,16,31H,3,7,12-15,17H2,1-2H3,(H,25,26)
InChIKeyRUFRBIWXZSKQRV-UHFFFAOYSA-N
XLogP3.29
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729535
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-propoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184697
2-methyl-1-(2-methylpropyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179144
4-(2-hydroxyphenyl)-N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111184794
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111233130
N-[(4-bromophenyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111977341
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111251330
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555
2-methyl-1-(2-phenoxyethyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111005817
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184554
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
CID 111184626
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111611743

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide (CID 111185010) is 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide is CCCc1noc(-c2cccc(CN/C(=N\C)N3CCN(c4ccccc4O)CC3)c2)n1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide?
The InChIKey is RUFRBIWXZSKQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-7-22-27-23(32-28-22)19-9-6-8-18(16-19)17-26-24(25-2)30-14-12-29(13-15-30)20-10-4-5-11-21(20)31/h4-6,8-11,16,31H,3,7,12-15,17H2,1-2H3,(H,25,26).
What are the key properties of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide?
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide has a molecular weight of 434.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111185010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).