N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide

C20H20N4O2 — CID 124729838

IUPACN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
SMILESCn1cnnc1-c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-24-13-21-23-19(24)14-5-7-18(8-6-14)22-20(25)16-4-2-3-15(11-16)17-9-10-26-12-17/h2-8,11,13,17H,9-10,12H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyGTURPRKOQJVNJZ-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide

N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide (PubChem CID 124729838) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
PubChem CID124729838
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
SMILESCn1cnnc1-c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-24-13-21-23-19(24)14-5-7-18(8-6-14)22-20(25)16-4-2-3-15(11-16)17-9-10-26-12-17/h2-8,11,13,17H,9-10,12H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyGTURPRKOQJVNJZ-KRWDZBQOSA-N
XLogP3.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide (CID 124729838) is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide is Cn1cnnc1-c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1.
What is the InChIKey of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is GTURPRKOQJVNJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-13-21-23-19(24)14-5-7-18(8-6-14)22-20(25)16-4-2-3-15(11-16)17-9-10-26-12-17/h2-8,11,13,17H,9-10,12H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide?
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 124729838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).