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

C16H19N3O3 — CID 665456

IUPACN-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCC1CCCO1
InChIInChI=1S/C16H19N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20)
InChIKeyOLAKZCJPFSTJKH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.96
Rot. Bonds6

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

N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 665456) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID665456
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCC1CCCO1
InChIInChI=1S/C16H19N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20)
InChIKeyOLAKZCJPFSTJKH-UHFFFAOYSA-N
XLogP1.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 665456) is N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OLAKZCJPFSTJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 665456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).