N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide

C22H20N4O3 — CID 55668006

IUPACN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N(Cc3ccco3)c3ccccc3)c2C)c1
InChIInChI=1S/C22H20N4O3/c1-16-21(23-24-26(16)18-10-6-11-19(14-18)28-2)22(27)25(15-20-12-7-13-29-20)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyCQRWSJUSKBBLKX-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.02
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide

N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide (PubChem CID 55668006) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
PubChem CID55668006
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N(Cc3ccco3)c3ccccc3)c2C)c1
InChIInChI=1S/C22H20N4O3/c1-16-21(23-24-26(16)18-10-6-11-19(14-18)28-2)22(27)25(15-20-12-7-13-29-20)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyCQRWSJUSKBBLKX-UHFFFAOYSA-N
XLogP4.02
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55650551
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CID 18100555
N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854946
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16649276
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
CID 55650122
1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide
CID 55649496
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
CID 18100629
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
CID 55670903
N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
CID 18100582
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55933626

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide (CID 55668006) is N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)N(Cc3ccco3)c3ccccc3)c2C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The InChIKey is CQRWSJUSKBBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-16-21(23-24-26(16)18-10-6-11-19(14-18)28-2)22(27)25(15-20-12-7-13-29-20)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 55668006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).