3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C14H19N3O3 — CID 8944831

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCCCC3)C2=O)no1
InChIInChI=1S/C14H19N3O3/c1-10-8-11(16-20-10)9-17-12(18)14(15-13(17)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,19)
InChIKeyBAMNJFRUMMDMPK-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.13
Rot. Bonds2

About 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 8944831) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID8944831
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCCCC3)C2=O)no1
InChIInChI=1S/C14H19N3O3/c1-10-8-11(16-20-10)9-17-12(18)14(15-13(17)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,19)
InChIKeyBAMNJFRUMMDMPK-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
3-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8949145
5-Methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 45845928
1,3-Dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56811377
N-methyl-2-(2-oxoimidazolidin-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 72854357
3-[2-Oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione
CID 72894969
5-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
CID 97397404
5-methyl-N-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
CID 97494195
N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 97494205
N-ethyl-2-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 46942385
2-(5-Methyl-1,2-oxazol-3-YL)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 47001225
N-isobutyl-2-(5-methyl-3-isoxazolyl)-1-pyrrolidinecarboxamide
CID 47001354

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 8944831) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is Cc1cc(CN2C(=O)NC3(CCCCCC3)C2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is BAMNJFRUMMDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-8-11(16-20-10)9-17-12(18)14(15-13(17)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,19).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 8944831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).