(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione

C17H19N3O3 — CID 10805140

IUPAC(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione
SMILESCCCC1=NO[C@H]2C[C@]3(C[C@@H]12)NC(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C17H19N3O3/c1-2-6-13-12-9-17(10-14(12)23-19-13)15(21)20(16(22)18-17)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,18,22)/t12-,14-,17-/m0/s1
InChIKeyKCCVAORQWXKXLX-JDFRZJQESA-N
MW313.36 g/mol
LogP2.45
Rot. Bonds3

About (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione

(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione (PubChem CID 10805140) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione
PubChem CID10805140
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione
SMILESCCCC1=NO[C@H]2C[C@]3(C[C@@H]12)NC(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C17H19N3O3/c1-2-6-13-12-9-17(10-14(12)23-19-13)15(21)20(16(22)18-17)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,18,22)/t12-,14-,17-/m0/s1
InChIKeyKCCVAORQWXKXLX-JDFRZJQESA-N
XLogP2.45
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-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

(3aS,5S,6aS)-3,3'-diphenylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione
CID 10736415
3'-phenylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 146087793
(2R,3R)-6-(4-chlorophenyl)-2-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 100917439
(2R,3R)-6-(4-chlorophenyl)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 10667572
2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166285790
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 117062788
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane
CID 160904002
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61295440
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione (CID 10805140) is (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione is CCCC1=NO[C@H]2C[C@]3(C[C@@H]12)NC(=O)N(c1ccccc1)C3=O.
What is the InChIKey of (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione?
The InChIKey is KCCVAORQWXKXLX-JDFRZJQESA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-6-13-12-9-17(10-14(12)23-19-13)15(21)20(16(22)18-17)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,18,22)/t12-,14-,17-/m0/s1.
What are the key properties of (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione?
(3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione has a molecular weight of 313.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-3'-phenyl-3-propylspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 10805140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).