2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide

C16H16N4O3 — CID 46958849

IUPAC2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2cccc3ncccc23)oc1=O
InChIInChI=1S/C16H16N4O3/c1-10(2)18-14(21)9-20-16(22)23-15(19-20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyKYTXMDUGDKZYDD-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide

2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 46958849) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide
PubChem CID46958849
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2cccc3ncccc23)oc1=O
InChIInChI=1S/C16H16N4O3/c1-10(2)18-14(21)9-20-16(22)23-15(19-20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyKYTXMDUGDKZYDD-UHFFFAOYSA-N
XLogP1.58
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylethyl)acetamide
CID 126469111
N-cyclopentyl-2-[5-(4-methoxynaphthalen-1-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 6490135
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
2-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62876224
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 40718358
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 27040316
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide (CID 46958849) is 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(-c2cccc3ncccc23)oc1=O.
What is the InChIKey of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is KYTXMDUGDKZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(2)18-14(21)9-20-16(22)23-15(19-20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide?
2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 312.33 g/mol, XLogP of 1.58, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 46958849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).