1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride

C24H37ClN4O — CID 89740017

IUPAC1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride
SMILESCCCCCCCCCCCCC1=CC(=CC=C1)C2=NC(=NO2)C3(CC3)C(=N)N.Cl
InChIInChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
InChIKeyAFBCMGWFZWRGGF-UHFFFAOYSA-N
MW433.00 g/mol
LogP—
Rot. Bonds14

About 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride

1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride (PubChem CID 89740017) has the molecular formula C24H37ClN4O and a molecular weight of 433.00 g/mol. Its IUPAC name is 1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride
PubChem CID89740017
Molecular FormulaC24H37ClN4O
Molecular Weight433.00 g/mol
Exact Mass432.27
IUPAC Name1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride
SMILESCCCCCCCCCCCCC1=CC(=CC=C1)C2=NC(=NO2)C3(CC3)C(=N)N.Cl
InChIInChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
InChIKeyAFBCMGWFZWRGGF-UHFFFAOYSA-N
XLogP—
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity493

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CID 302154
5-Phenyl-1,2,4-oxadiazol-3-amine
CID 2305446
5-(1-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 659576
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-butyl)-benzamide
CID 9797557
3-[5-(2-Fluorophenyl)-[1,2,4]oxadiazol-3-yl]benzamide
CID 44142326
1-[3-(3-Dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 89740671

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride (CID 89740017) is 1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride is CCCCCCCCCCCCC1=CC(=CC=C1)C2=NC(=NO2)C3(CC3)C(=N)N.Cl.
What is the InChIKey of 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is AFBCMGWFZWRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H.
What are the key properties of 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride?
1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of not available, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-Dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 89740017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).