1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide

C18H16N8O3 — CID 6161308

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-c2c(C(=O)N/N=C\c3ccc(C)o3)nnn2-c2nonc2N)cc1
InChIInChI=1S/C18H16N8O3/c1-10-3-6-12(7-4-10)15-14(21-25-26(15)17-16(19)23-29-24-17)18(27)22-20-9-13-8-5-11(2)28-13/h3-9H,1-2H3,(H2,19,23)(H,22,27)/b20-9-
InChIKeyUXVALRZSXOFZRO-UKWGHVSLSA-N
MW392.38 g/mol
LogP1.87
Rot. Bonds5

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 6161308) has the molecular formula C18H16N8O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
PubChem CID6161308
Molecular FormulaC18H16N8O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-c2c(C(=O)N/N=C\c3ccc(C)o3)nnn2-c2nonc2N)cc1
InChIInChI=1S/C18H16N8O3/c1-10-3-6-12(7-4-10)15-14(21-25-26(15)17-16(19)23-29-24-17)18(27)22-20-9-13-8-5-11(2)28-13/h3-9H,1-2H3,(H2,19,23)(H,22,27)/b20-9-
InChIKeyUXVALRZSXOFZRO-UKWGHVSLSA-N
XLogP1.87
TPSA150.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]triazole-4-carboxamide
CID 6881485
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 135630423
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 6889546
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 6878278
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 6886063
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 6888923
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-bromophenyl)methylideneamino]-5-(4-ethoxyphenyl)triazole-4-carboxamide
CID 6887507
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]triazole-4-carboxamide
CID 6886019
methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 6161411
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
CID 6375440
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
CID 135719880
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
CID 6869709

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide (CID 6161308) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-c2c(C(=O)N/N=C\c3ccc(C)o3)nnn2-c2nonc2N)cc1.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is UXVALRZSXOFZRO-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H16N8O3/c1-10-3-6-12(7-4-10)15-14(21-25-26(15)17-16(19)23-29-24-17)18(27)22-20-9-13-8-5-11(2)28-13/h3-9H,1-2H3,(H2,19,23)(H,22,27)/b20-9-.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6161308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).