1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C15H20N4O3S — CID 94487439

IUPAC1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1nc(CC(=O)N2CCO[C@H]3CCC[C@H]32)cs1
InChIInChI=1S/C15H20N4O3S/c20-13(18-6-7-22-12-3-1-2-11(12)18)8-10-9-23-15(17-10)19-5-4-16-14(19)21/h9,11-12H,1-8H2,(H,16,21)/t11-,12+/m1/s1
InChIKeyXFGQRGNZSVTHPK-NEPJUHHUSA-N
MW336.42 g/mol
LogP1.00
Rot. Bonds3

About 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 94487439) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID94487439
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1nc(CC(=O)N2CCO[C@H]3CCC[C@H]32)cs1
InChIInChI=1S/C15H20N4O3S/c20-13(18-6-7-22-12-3-1-2-11(12)18)8-10-9-23-15(17-10)19-5-4-16-14(19)21/h9,11-12H,1-8H2,(H,16,21)/t11-,12+/m1/s1
InChIKeyXFGQRGNZSVTHPK-NEPJUHHUSA-N
XLogP1.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 56812990
tert-butyl (2S,5S)-2,5-dimethyl-4-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 97256056
N-(1-adamantyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75362669
1-[4-[2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 125146659
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107338538
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95581192
1-[4-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487253
1-[4-[2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487256
1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 75468883

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 94487439) is 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is O=C1NCCN1c1nc(CC(=O)N2CCO[C@H]3CCC[C@H]32)cs1.
What is the InChIKey of 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is XFGQRGNZSVTHPK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-13(18-6-7-22-12-3-1-2-11(12)18)8-10-9-23-15(17-10)19-5-4-16-14(19)21/h9,11-12H,1-8H2,(H,16,21)/t11-,12+/m1/s1.
What are the key properties of 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 336.42 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 94487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).