2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

C17H21N5O3 — CID 46956754

IUPAC2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCOC(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C17H21N5O3/c23-14(10-12-4-1-2-5-12)22-8-9-24-13(11-22)17-20-16(21-25-17)15-18-6-3-7-19-15/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyJEZLABZDIKBYNS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.01
Rot. Bonds4

About 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 46956754) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
PubChem CID46956754
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCOC(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C17H21N5O3/c23-14(10-12-4-1-2-5-12)22-8-9-24-13(11-22)17-20-16(21-25-17)15-18-6-3-7-19-15/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyJEZLABZDIKBYNS-UHFFFAOYSA-N
XLogP2.01
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

Cyclopentyl-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 46956753
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118739267
2-[5-(1-Cyclohexanecarbonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine
CID 49745316
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
1-[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-cyclopentylethanone
CID 97402870
2-(3-Methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269335
N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 46994145
3-Cyclopentyl-1-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]propan-1-one
CID 49745318
2-Cyclopentyl-1-(3-(3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)ethanone
CID 49745321
1-(3-Propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998179
[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998713
(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998850

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (CID 46956754) is 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is O=C(CC1CCCC1)N1CCOC(c2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is JEZLABZDIKBYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-14(10-12-4-1-2-5-12)22-8-9-24-13(11-22)17-20-16(21-25-17)15-18-6-3-7-19-15/h3,6-7,12-13H,1-2,4-5,8-11H2.
What are the key properties of 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 46956754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).