3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one

C21H19N5O3S — CID 121114554

IUPAC3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C21H19N5O3S/c27-18(11-26-13-22-17-6-2-1-5-16(17)21(26)28)25-8-3-4-14(10-25)19-23-24-20(29-19)15-7-9-30-12-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2
InChIKeyQXBURNCBTPKLBT-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.91
Rot. Bonds4

About 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one

3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one (PubChem CID 121114554) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one
PubChem CID121114554
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C21H19N5O3S/c27-18(11-26-13-22-17-6-2-1-5-16(17)21(26)28)25-8-3-4-14(10-25)19-23-24-20(29-19)15-7-9-30-12-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2
InChIKeyQXBURNCBTPKLBT-UHFFFAOYSA-N
XLogP2.91
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92573098
2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114633
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
2-(4-ethoxyphenoxy)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114636
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553
1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114690
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114744

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one (CID 121114554) is 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is QXBURNCBTPKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-18(11-26-13-22-17-6-2-1-5-16(17)21(26)28)25-8-3-4-14(10-25)19-23-24-20(29-19)15-7-9-30-12-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2.
What are the key properties of 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one?
3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 421.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 121114554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).