3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H18N4O3 — CID 70755957

IUPAC3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1Cc1cc(C2CC2)on1
InChIInChI=1S/C14H18N4O3/c19-12-14(3-5-15-6-4-14)16-13(20)18(12)8-10-7-11(21-17-10)9-1-2-9/h7,9,15H,1-6,8H2,(H,16,20)
InChIKeyYQUIEMATWNVJQQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.73
Rot. Bonds3

About 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70755957) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70755957
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1Cc1cc(C2CC2)on1
InChIInChI=1S/C14H18N4O3/c19-12-14(3-5-15-6-4-14)16-13(20)18(12)8-10-7-11(21-17-10)9-1-2-9/h7,9,15H,1-6,8H2,(H,16,20)
InChIKeyYQUIEMATWNVJQQ-UHFFFAOYSA-N
XLogP0.73
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70782918
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
3-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 62850026
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
CID 143811885
3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742151
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 163350927
3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 138996814
3-[(2-bromo-5-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62850737
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397337

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70755957) is 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCNCC2)C(=O)N1Cc1cc(C2CC2)on1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YQUIEMATWNVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-12-14(3-5-15-6-4-14)16-13(20)18(12)8-10-7-11(21-17-10)9-1-2-9/h7,9,15H,1-6,8H2,(H,16,20).
What are the key properties of 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70755957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).