2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide

C13H19N5O2 — CID 124802555

IUPAC2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCO[C@@H]2CN(c3cnccn3)C[C@@H]21
InChIInChI=1S/C13H19N5O2/c1-14-13(19)9-17-4-5-20-11-8-18(7-10(11)17)12-6-15-2-3-16-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,14,19)/t10-,11+/m0/s1
InChIKeyPGUOCSAFKGCMLF-WDEREUQCSA-N
MW277.33 g/mol
LogP-0.89
Rot. Bonds3

About 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide

2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide (PubChem CID 124802555) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide
PubChem CID124802555
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCO[C@@H]2CN(c3cnccn3)C[C@@H]21
InChIInChI=1S/C13H19N5O2/c1-14-13(19)9-17-4-5-20-11-8-18(7-10(11)17)12-6-15-2-3-16-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,14,19)/t10-,11+/m0/s1
InChIKeyPGUOCSAFKGCMLF-WDEREUQCSA-N
XLogP-0.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide with MolForge

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Related Compounds

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CID 110268192
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CID 124825190
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796911
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338
morpholin-4-yl-(1-pyrazin-2-ylazetidin-3-yl)methanone
CID 163352710
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrazin-2-ylmethanone
CID 98793047
(2-ethylmorpholin-4-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 146086784
(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125007457
(4aS,7aS)-4-phenyl-6-pyrazin-2-yl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110139846
[(4aS,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(6-methoxy-3-pyridinyl)methanone
CID 155877847
[(4aS,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(4-methylthiophen-2-yl)methanone
CID 155877614
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide (CID 124802555) is 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide is CNC(=O)CN1CCO[C@@H]2CN(c3cnccn3)C[C@@H]21.
What is the InChIKey of 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide?
The InChIKey is PGUOCSAFKGCMLF-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-13(19)9-17-4-5-20-11-8-18(7-10(11)17)12-6-15-2-3-16-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,14,19)/t10-,11+/m0/s1.
What are the key properties of 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide?
2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide has a molecular weight of 277.33 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide is sourced from PubChem (CID 124802555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).