N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide

C23H18N4O3 — CID 9098208

IUPACN-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)oc1ccccc12
InChIInChI=1S/C23H18N4O3/c1-14-22(26-27(25-14)15-8-4-3-5-9-15)23(28)24-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)30-20/h3-13H,1-2H3,(H,24,28)
InChIKeyZGATYTKAOPKJPM-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.74
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 9098208) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID9098208
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)oc1ccccc12
InChIInChI=1S/C23H18N4O3/c1-14-22(26-27(25-14)15-8-4-3-5-9-15)23(28)24-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)30-20/h3-13H,1-2H3,(H,24,28)
InChIKeyZGATYTKAOPKJPM-UHFFFAOYSA-N
XLogP4.74
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
CID 3948606
1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide
CID 55883139
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
CID 46263215
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 4789908
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 9098208) is N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide is COc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is ZGATYTKAOPKJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14-22(26-27(25-14)15-8-4-3-5-9-15)23(28)24-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)30-20/h3-13H,1-2H3,(H,24,28).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 9098208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).