4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide

C19H24N4O2 — CID 72902869

IUPAC4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(C3CCOC3)n(C3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c20-17(24)13-6-8-14(9-7-13)18-21-19(15-10-11-25-12-15)23(22-18)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-12H2,(H2,20,24)
InChIKeyWGKXSSRLQWMRKU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.05
Rot. Bonds4

About 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide

4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 72902869) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide
PubChem CID72902869
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(C3CCOC3)n(C3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c20-17(24)13-6-8-14(9-7-13)18-21-19(15-10-11-25-12-15)23(22-18)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-12H2,(H2,20,24)
InChIKeyWGKXSSRLQWMRKU-UHFFFAOYSA-N
XLogP3.05
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide (CID 72902869) is 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide is NC(=O)c1ccc(-c2nc(C3CCOC3)n(C3CCCCC3)n2)cc1.
What is the InChIKey of 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is WGKXSSRLQWMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-17(24)13-6-8-14(9-7-13)18-21-19(15-10-11-25-12-15)23(22-18)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-12H2,(H2,20,24).
What are the key properties of 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide?
4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 72902869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).