1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide

C18H19N7O — CID 162644547

IUPAC1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2nc(-c3ccc(Cn4cc(C5CC5)nn4)cc3)no2)CC1
InChIInChI=1S/C18H19N7O/c19-16(20)18(7-8-18)17-21-15(23-26-17)13-3-1-11(2-4-13)9-25-10-14(22-24-25)12-5-6-12/h1-4,10,12H,5-9H2,(H3,19,20)
InChIKeyLGXKDGUAIRZOEV-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.22
Rot. Bonds6

About 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide

1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide (PubChem CID 162644547) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
PubChem CID162644547
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2nc(-c3ccc(Cn4cc(C5CC5)nn4)cc3)no2)CC1
InChIInChI=1S/C18H19N7O/c19-16(20)18(7-8-18)17-21-15(23-26-17)13-3-1-11(2-4-13)9-25-10-14(22-24-25)12-5-6-12/h1-4,10,12H,5-9H2,(H3,19,20)
InChIKeyLGXKDGUAIRZOEV-UHFFFAOYSA-N
XLogP2.22
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-[3-(4-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 127045539
1-[3-[4-(hydroxymethyl)-3-undecylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
CID 118264628
2-[[3-[4-[[4-(4-formylphenyl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide
CID 168739537
(2S)-2-[[3-[4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162658105
(2S)-2-[3-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162667574
1-[2-[[3-[4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]ethanimine
CID 175618187
ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472477
4-cyclopenta-2,4-dien-1-yl-1-[[4-[(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)methyl]phenyl]methyl]triazole
CID 102407904
3-[4-[[4-(1-ethyl-5-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532599
3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboximidamide
CID 154660666
tert-butyl 3-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]triazol-4-yl]propanoate
CID 158991661
(2S)-2-[3-(4-tetradecylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 122192897

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide?
The IUPAC name of 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide (CID 162644547) is 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide.
What is the SMILES notation for 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide?
The canonical SMILES for 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide is [H]/N=C(\N)C1(c2nc(-c3ccc(Cn4cc(C5CC5)nn4)cc3)no2)CC1.
What is the InChIKey of 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide?
The InChIKey is LGXKDGUAIRZOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c19-16(20)18(7-8-18)17-21-15(23-26-17)13-3-1-11(2-4-13)9-25-10-14(22-24-25)12-5-6-12/h1-4,10,12H,5-9H2,(H3,19,20).
What are the key properties of 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide?
1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide has a molecular weight of 349.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(4-cyclopropyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 162644547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).