(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C16H22N4O3 — CID 56686247

IUPAC(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2c2nc(CC(C)C)no2)on1
InChIInChI=1S/C16H22N4O3/c1-10(2)8-14-17-15(23-19-14)12-6-4-5-7-20(12)16(21)13-9-11(3)18-22-13/h9-10,12H,4-8H2,1-3H3
InChIKeySUAKPAPBJCZZAE-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.93
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 56686247) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID56686247
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2c2nc(CC(C)C)no2)on1
InChIInChI=1S/C16H22N4O3/c1-10(2)8-14-17-15(23-19-14)12-6-4-5-7-20(12)16(21)13-9-11(3)18-22-13/h9-10,12H,4-8H2,1-3H3
InChIKeySUAKPAPBJCZZAE-UHFFFAOYSA-N
XLogP2.93
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70710458
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56728139
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
CID 120865752
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 120866033
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 120865283
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
(3-methyl-1,2-oxazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984864

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 56686247) is (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCCC2c2nc(CC(C)C)no2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is SUAKPAPBJCZZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)8-14-17-15(23-19-14)12-6-4-5-7-20(12)16(21)13-9-11(3)18-22-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56686247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).