N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide

C24H24N4O3 — CID 1027040

IUPACN-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c1-16(2)15-31-24-26-22(18-8-6-17(3)7-9-18)28(27-24)20-12-10-19(11-13-20)25-23(29)21-5-4-14-30-21/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyDXUBPJLDDIRLHT-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.12
Rot. Bonds7

About N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide

N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 1027040) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID1027040
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c1-16(2)15-31-24-26-22(18-8-6-17(3)7-9-18)28(27-24)20-12-10-19(11-13-20)25-23(29)21-5-4-14-30-21/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyDXUBPJLDDIRLHT-UHFFFAOYSA-N
XLogP5.12
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4073327
2-fluoro-N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42777365
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029301
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
2,2-dichloro-N-[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]acetamide
CID 1026744
N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]thiophene-2-carboxamide
CID 1026988
N-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-methylpropanamide
CID 1029397
N-[4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-4-phenylbenzamide
CID 42665287
N-[4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-methylbenzamide
CID 42809983
4-bromo-N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1027010
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide (CID 1027040) is N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide is Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is DXUBPJLDDIRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(2)15-31-24-26-22(18-8-6-17(3)7-9-18)28(27-24)20-12-10-19(11-13-20)25-23(29)21-5-4-14-30-21/h4-14,16H,15H2,1-3H3,(H,25,29).
What are the key properties of N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1027040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).