N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C20H19N3O3 — CID 665612

IUPACN-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,24)
InChIKeyOYVGVRNLLVEOBF-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.31
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 665612) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID665612
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,24)
InChIKeyOYVGVRNLLVEOBF-UHFFFAOYSA-N
XLogP3.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
Morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 2019832
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665413
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665439
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 665456
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665465
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 665849
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
CID 665852
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1964348
N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1983138

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 665612) is N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is OYVGVRNLLVEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,24).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 665612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).