3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one

C18H19N5O3 — CID 119073153

IUPAC3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
SMILESCC(C(=O)N1CCC(c2ncon2)CC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O3/c1-12(23-10-19-15-5-3-2-4-14(15)18(23)25)17(24)22-8-6-13(7-9-22)16-20-11-26-21-16/h2-5,10-13H,6-9H2,1H3
InChIKeyAQIFRKORARGGRK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.75
Rot. Bonds3

About 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one

3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one (PubChem CID 119073153) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
PubChem CID119073153
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
SMILESCC(C(=O)N1CCC(c2ncon2)CC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O3/c1-12(23-10-19-15-5-3-2-4-14(15)18(23)25)17(24)22-8-6-13(7-9-22)16-20-11-26-21-16/h2-5,10-13H,6-9H2,1H3
InChIKeyAQIFRKORARGGRK-UHFFFAOYSA-N
XLogP1.75
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one with MolForge

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Related Compounds

(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 126441847
4-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 118778097
3-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
CID 75538569
3-[(2S)-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
CID 97161781
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891
11-[2-(4-oxoquinazolin-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 4838591
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one?
The IUPAC name of 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one (CID 119073153) is 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one is CC(C(=O)N1CCC(c2ncon2)CC1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one?
The InChIKey is AQIFRKORARGGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12(23-10-19-15-5-3-2-4-14(15)18(23)25)17(24)22-8-6-13(7-9-22)16-20-11-26-21-16/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one?
3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one has a molecular weight of 353.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one is sourced from PubChem (CID 119073153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).