(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C15H26N4O2 — CID 125192386

IUPAC(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCN1CCO[C@H]2CCN(Cc3cncn3C)C[C@H]21
InChIInChI=1S/C15H26N4O2/c1-17-12-16-9-13(17)10-18-4-3-15-14(11-18)19(5-7-20-2)6-8-21-15/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyNDLNBBLOMLATPD-CABCVRRESA-N
MW294.40 g/mol
LogP0.34
Rot. Bonds5

About (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 125192386) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID125192386
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCN1CCO[C@H]2CCN(Cc3cncn3C)C[C@H]21
InChIInChI=1S/C15H26N4O2/c1-17-12-16-9-13(17)10-18-4-3-15-14(11-18)19(5-7-20-2)6-8-21-15/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyNDLNBBLOMLATPD-CABCVRRESA-N
XLogP0.34
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine with MolForge

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Related Compounds

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4-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97467449
4-[[7-(Oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 118739063
7-(Oxolan-3-yl)-3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 118745773
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
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CID 74230943
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CID 77081273
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 90648579
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
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(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 125192386) is (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is COCCN1CCO[C@H]2CCN(Cc3cncn3C)C[C@H]21.
What is the InChIKey of (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is NDLNBBLOMLATPD-CABCVRRESA-N. The full InChI is InChI=1S/C15H26N4O2/c1-17-12-16-9-13(17)10-18-4-3-15-14(11-18)19(5-7-20-2)6-8-21-15/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
(4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 294.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4-(2-methoxyethyl)-6-[(3-methylimidazol-4-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 125192386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).