2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide

C21H18N4O3 — CID 126469111

IUPAC2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ncccc23)oc1=O)NCCc1ccccc1
InChIInChI=1S/C21H18N4O3/c26-19(23-13-11-15-6-2-1-3-7-15)14-25-21(27)28-20(24-25)17-8-4-10-18-16(17)9-5-12-22-18/h1-10,12H,11,13-14H2,(H,23,26)
InChIKeyBASMVZHWQYWXCX-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide

2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 126469111) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID126469111
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ncccc23)oc1=O)NCCc1ccccc1
InChIInChI=1S/C21H18N4O3/c26-19(23-13-11-15-6-2-1-3-7-15)14-25-21(27)28-20(24-25)17-8-4-10-18-16(17)9-5-12-22-18/h1-10,12H,11,13-14H2,(H,23,26)
InChIKeyBASMVZHWQYWXCX-UHFFFAOYSA-N
XLogP2.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide (CID 126469111) is 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1nc(-c2cccc3ncccc23)oc1=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is BASMVZHWQYWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19(23-13-11-15-6-2-1-3-7-15)14-25-21(27)28-20(24-25)17-8-4-10-18-16(17)9-5-12-22-18/h1-10,12H,11,13-14H2,(H,23,26).
What are the key properties of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide?
2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 126469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).