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

C16H16N6O3 — CID 121494507

IUPACN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ccccc1-n1cnnc1
InChIInChI=1S/C16H16N6O3/c23-15(11-4-1-2-5-12(11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-6-3-7-24-13/h1-2,4-5,9-10,13H,3,6-8H2,(H,17,23)
InChIKeyWOOWQIXYZDPYRR-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.43
Rot. Bonds5

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

N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 121494507) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID121494507
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ccccc1-n1cnnc1
InChIInChI=1S/C16H16N6O3/c23-15(11-4-1-2-5-12(11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-6-3-7-24-13/h1-2,4-5,9-10,13H,3,6-8H2,(H,17,23)
InChIKeyWOOWQIXYZDPYRR-UHFFFAOYSA-N
XLogP1.43
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 99973390
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125435120
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131925451
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125168186
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 118779570
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide (CID 121494507) is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1noc(C2CCCO2)n1)c1ccccc1-n1cnnc1.
What is the InChIKey of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WOOWQIXYZDPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-15(11-4-1-2-5-12(11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-6-3-7-24-13/h1-2,4-5,9-10,13H,3,6-8H2,(H,17,23).
What are the key properties of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 340.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 121494507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).