3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H22N4O4 — CID 170505389

IUPAC3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCc3oc(C4CCC4)nc3C2)C1=O
InChIInChI=1S/C17H22N4O4/c1-17(2)15(23)21(16(24)19-17)9-13(22)20-7-6-12-11(8-20)18-14(25-12)10-4-3-5-10/h10H,3-9H2,1-2H3,(H,19,24)
InChIKeyHBUWWVHQZZTSFZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.16
Rot. Bonds3

About 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 170505389) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID170505389
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCc3oc(C4CCC4)nc3C2)C1=O
InChIInChI=1S/C17H22N4O4/c1-17(2)15(23)21(16(24)19-17)9-13(22)20-7-6-12-11(8-20)18-14(25-12)10-4-3-5-10/h10H,3-9H2,1-2H3,(H,19,24)
InChIKeyHBUWWVHQZZTSFZ-UHFFFAOYSA-N
XLogP1.16
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
5,5-dimethyl-3-[2-[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 136916514
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 169422207
3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 110104871
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-hydroxy-2-phenylpropan-1-one
CID 170506642
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512082
5,5-dimethyl-3-[2-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110217940
5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125007071
5,5-dimethyl-3-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110106310
8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55884903
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone
CID 170508191

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 170505389) is 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCc3oc(C4CCC4)nc3C2)C1=O.
What is the InChIKey of 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HBUWWVHQZZTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-17(2)15(23)21(16(24)19-17)9-13(22)20-7-6-12-11(8-20)18-14(25-12)10-4-3-5-10/h10H,3-9H2,1-2H3,(H,19,24).
What are the key properties of 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 170505389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).