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

C20H20N4O3 — CID 134004359

IUPAC3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H20N4O3/c25-20(23-18-8-1-2-9-19(18)24-14-21-13-22-24)15-5-3-6-16(11-15)27-12-17-7-4-10-26-17/h1-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,(H,23,25)
InChIKeyJTCDZYVATSHOFX-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.08
Rot. Bonds6

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

3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 134004359) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID134004359
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H20N4O3/c25-20(23-18-8-1-2-9-19(18)24-14-21-13-22-24)15-5-3-6-16(11-15)27-12-17-7-4-10-26-17/h1-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,(H,23,25)
InChIKeyJTCDZYVATSHOFX-UHFFFAOYSA-N
XLogP3.08
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94072580
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119618105
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 134004359) is 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccccc1-n1cncn1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is JTCDZYVATSHOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(23-18-8-1-2-9-19(18)24-14-21-13-22-24)15-5-3-6-16(11-15)27-12-17-7-4-10-26-17/h1-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,(H,23,25).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 134004359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).