3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide

C23H22N4O2 — CID 42291978

IUPAC3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCc1ccc2ncccc2c1
InChIInChI=1S/C23H22N4O2/c28-21(25-16-18-8-10-20-19(15-18)7-4-14-24-20)11-13-23-27-26-22(29-23)12-9-17-5-2-1-3-6-17/h1-8,10,14-15H,9,11-13,16H2,(H,25,28)
InChIKeyPSNYPJBVAVSKMT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.65
Rot. Bonds8

About 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide

3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide (PubChem CID 42291978) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
PubChem CID42291978
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCc1ccc2ncccc2c1
InChIInChI=1S/C23H22N4O2/c28-21(25-16-18-8-10-20-19(15-18)7-4-14-24-20)11-13-23-27-26-22(29-23)12-9-17-5-2-1-3-6-17/h1-8,10,14-15H,9,11-13,16H2,(H,25,28)
InChIKeyPSNYPJBVAVSKMT-UHFFFAOYSA-N
XLogP3.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide?
The IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide (CID 42291978) is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide is O=C(CCc1nnc(CCc2ccccc2)o1)NCc1ccc2ncccc2c1.
What is the InChIKey of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide?
The InChIKey is PSNYPJBVAVSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21(25-16-18-8-10-20-19(15-18)7-4-14-24-20)11-13-23-27-26-22(29-23)12-9-17-5-2-1-3-6-17/h1-8,10,14-15H,9,11-13,16H2,(H,25,28).
What are the key properties of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide?
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide is sourced from PubChem (CID 42291978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).