N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

C15H26N4O4 — CID 59959654

IUPACN-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21)/t10-,15?/m1/s1
InChIKeyDVDNPOSROSTKGX-INHVJJQHSA-N
MW326.40 g/mol
LogP-0.33
Rot. Bonds4

About N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (PubChem CID 59959654) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
PubChem CID59959654
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC NameN-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21)/t10-,15?/m1/s1
InChIKeyDVDNPOSROSTKGX-INHVJJQHSA-N
XLogP-0.33
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3S,8aR)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]carbamate
CID 16112104
N-[1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 22957198
tert-Butyl 3-oxohexahydrofuro[3,4-b]pyrazine-1(2H)-carboxylate
CID 58006909
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 59959651
N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 59959652
rel-tert-Butyl (4aR,7aS)-3-oxohexahydrofuro[3,4-b]pyrazine-1(2H)-carboxylate
CID 86637126
Methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118353909
methyl (8S,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118353910
methyl (8R,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118359742
methyl (8R,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 140912841
(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
CID 143412767
5,6-Dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
CID 143562276

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The IUPAC name of N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (CID 59959654) is N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The canonical SMILES for N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is CC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1.
What is the InChIKey of N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The InChIKey is DVDNPOSROSTKGX-INHVJJQHSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21)/t10-,15?/m1/s1.
What are the key properties of N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide has a molecular weight of 326.40 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 59959654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).