4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide

C16H16N4O2 — CID 131948685

IUPAC4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3ccc(C)o3)cc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-10-3-8-14(22-10)12-4-6-13(7-5-12)16(21)17-9-15-18-11(2)19-20-15/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyAOPNQTUHPJFOJP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds4

About 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide

4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 131948685) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID131948685
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3ccc(C)o3)cc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-10-3-8-14(22-10)12-4-6-13(7-5-12)16(21)17-9-15-18-11(2)19-20-15/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyAOPNQTUHPJFOJP-UHFFFAOYSA-N
XLogP2.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 77078604
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645209
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
3-(3-hydroxy-3-methylbutyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 70788141
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111539002
5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
CID 56781987
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (CID 131948685) is 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(-c3ccc(C)o3)cc2)n[nH]1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is AOPNQTUHPJFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-3-8-14(22-10)12-4-6-13(7-5-12)16(21)17-9-15-18-11(2)19-20-15/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 131948685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).