3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one

C17H17N5O3 — CID 53060346

IUPAC3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESO=C(c1nc(Cn2cnc3ccccc3c2=O)no1)N1CCCCC1
InChIInChI=1S/C17H17N5O3/c23-16-12-6-2-3-7-13(12)18-11-22(16)10-14-19-15(25-20-14)17(24)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyLIRAUDOBOILUQK-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.45
Rot. Bonds3

About 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one

3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (PubChem CID 53060346) has the molecular formula C17H17N5O3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
PubChem CID53060346
Molecular FormulaC17H17N5O3
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESO=C(c1nc(Cn2cnc3ccccc3c2=O)no1)N1CCCCC1
InChIInChI=1S/C17H17N5O3/c23-16-12-6-2-3-7-13(12)18-11-22(16)10-14-19-15(25-20-14)17(24)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyLIRAUDOBOILUQK-UHFFFAOYSA-N
XLogP1.45
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
azepan-1-yl-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanone
CID 22579327
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40789776
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
3-[[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
CID 46361311

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (CID 53060346) is 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is O=C(c1nc(Cn2cnc3ccccc3c2=O)no1)N1CCCCC1.
What is the InChIKey of 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The InChIKey is LIRAUDOBOILUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16-12-6-2-3-7-13(12)18-11-22(16)10-14-19-15(25-20-14)17(24)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one has a molecular weight of 339.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 53060346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).