[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone

C17H21N3O2S — CID 95589955

IUPAC[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2cccs2)nc1C(=O)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C17H21N3O2S/c1-12-15(18-16(22-12)14-6-4-10-23-14)17(21)20-9-8-19-7-3-2-5-13(19)11-20/h4,6,10,13H,2-3,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyJSRYWXRZLQWVMP-CYBMUJFWSA-N
MW331.44 g/mol
LogP3.02
Rot. Bonds2

About [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 95589955) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID95589955
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2cccs2)nc1C(=O)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C17H21N3O2S/c1-12-15(18-16(22-12)14-6-4-10-23-14)17(21)20-9-8-19-7-3-2-5-13(19)11-20/h4,6,10,13H,2-3,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyJSRYWXRZLQWVMP-CYBMUJFWSA-N
XLogP3.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-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

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099
[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 55809719
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95336035
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
[(4aS,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 97002453
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95589892
[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 167921537
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71909794
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94103355

Frequently Asked Questions

What is the IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone (CID 95589955) is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone is Cc1oc(-c2cccs2)nc1C(=O)N1CCN2CCCC[C@@H]2C1.
What is the InChIKey of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is JSRYWXRZLQWVMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-15(18-16(22-12)14-6-4-10-23-14)17(21)20-9-8-19-7-3-2-5-13(19)11-20/h4,6,10,13H,2-3,5,7-9,11H2,1H3/t13-/m1/s1.
What are the key properties of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95589955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).