2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone

C14H17N5O2 — CID 77080783

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C14H17N5O2/c1-10-13(18-21-17-10)8-14(20)19-6-3-11(4-7-19)12-2-5-15-9-16-12/h2,5,9,11H,3-4,6-8H2,1H3
InChIKeyNJYJAMGRADPPMQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.12
Rot. Bonds3

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone (PubChem CID 77080783) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
PubChem CID77080783
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C14H17N5O2/c1-10-13(18-21-17-10)8-14(20)19-6-3-11(4-7-19)12-2-5-15-9-16-12/h2,5,9,11H,3-4,6-8H2,1H3
InChIKeyNJYJAMGRADPPMQ-UHFFFAOYSA-N
XLogP1.12
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125008288
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 46962196
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72855156
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096396
N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 128737509
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 90648512

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone (CID 77080783) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone is Cc1nonc1CC(=O)N1CCC(c2ccncn2)CC1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is NJYJAMGRADPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-13(18-21-17-10)8-14(20)19-6-3-11(4-7-19)12-2-5-15-9-16-12/h2,5,9,11H,3-4,6-8H2,1H3.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 287.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 77080783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).