3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone

C15H22N2O2S — CID 47073754

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCOC3CCCC32)s1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)14-16-9-12(20-14)13(18)17-7-8-19-11-6-4-5-10(11)17/h9-11H,4-8H2,1-3H3
InChIKeyIXLIMXUYHGCKPN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.83
Rot. Bonds1

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone (PubChem CID 47073754) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
PubChem CID47073754
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCOC3CCCC32)s1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)14-16-9-12(20-14)13(18)17-7-8-19-11-6-4-5-10(11)17/h9-11H,4-8H2,1-3H3
InChIKeyIXLIMXUYHGCKPN-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone 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

(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164641873
(2-Cyclopropyl-1,3-thiazol-5-yl)-[4-(2-hydroxycyclopentyl)piperazin-1-yl]methanone
CID 72139894
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47398558
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 47398724
(2-Tert-butyl-1,3-thiazol-5-yl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 47423657
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432522
[4-(2-Tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47718878
2-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 48363372
[4-(2-Ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 48572432

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone (CID 47073754) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CCOC3CCCC32)s1.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The InChIKey is IXLIMXUYHGCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)14-16-9-12(20-14)13(18)17-7-8-19-11-6-4-5-10(11)17/h9-11H,4-8H2,1-3H3.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 47073754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).