5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C13H17N5O4 — CID 56798783

IUPAC5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1noc(C2CCCN(C(=O)CC3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C13H17N5O4/c1-7-14-12(22-17-7)8-3-2-4-18(6-8)10(19)5-9-11(20)16-13(21)15-9/h8-9H,2-6H2,1H3,(H2,15,16,20,21)
InChIKeyHMCKDDMSAJEIHV-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.32
Rot. Bonds3

About 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56798783) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56798783
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1noc(C2CCCN(C(=O)CC3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C13H17N5O4/c1-7-14-12(22-17-7)8-3-2-4-18(6-8)10(19)5-9-11(20)16-13(21)15-9/h8-9H,2-6H2,1H3,(H2,15,16,20,21)
InChIKeyHMCKDDMSAJEIHV-UHFFFAOYSA-N
XLogP-0.32
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
5,5-dimethyl-3-[2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125169620
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 56798783) is 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1noc(C2CCCN(C(=O)CC3NC(=O)NC3=O)C2)n1.
What is the InChIKey of 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HMCKDDMSAJEIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-7-14-12(22-17-7)8-3-2-4-18(6-8)10(19)5-9-11(20)16-13(21)15-9/h8-9H,2-6H2,1H3,(H2,15,16,20,21).
What are the key properties of 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56798783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).