N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide

C17H14N6O3 — CID 56764401

IUPACN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)c(C)o1
InChIInChI=1S/C17H14N6O3/c1-10-8-13(11(2)25-10)16-20-21-17(26-16)19-15(24)14-9-18-23(22-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,21,24)
InChIKeyAFQQBLXGCSBAQY-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.78
Rot. Bonds4

About N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide (PubChem CID 56764401) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
PubChem CID56764401
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)c(C)o1
InChIInChI=1S/C17H14N6O3/c1-10-8-13(11(2)25-10)16-20-21-17(26-16)19-15(24)14-9-18-23(22-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,21,24)
InChIKeyAFQQBLXGCSBAQY-UHFFFAOYSA-N
XLogP2.78
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 90602681
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
CID 90603045
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide (CID 56764401) is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide is Cc1cc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)c(C)o1.
What is the InChIKey of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The InChIKey is AFQQBLXGCSBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-10-8-13(11(2)25-10)16-20-21-17(26-16)19-15(24)14-9-18-23(22-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,21,24).
What are the key properties of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56764401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).