4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C17H24N2O3 — CID 134074418

IUPAC4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1ccc(OCC2CC3OCCN(C4CCOC4)C3C2)nc1
InChIInChI=1S/C17H24N2O3/c1-2-5-18-17(3-1)22-11-13-9-15-16(10-13)21-8-6-19(15)14-4-7-20-12-14/h1-3,5,13-16H,4,6-12H2
InChIKeySPRXLQWBZCVPOT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.73
Rot. Bonds4

About 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 134074418) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID134074418
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1ccc(OCC2CC3OCCN(C4CCOC4)C3C2)nc1
InChIInChI=1S/C17H24N2O3/c1-2-5-18-17(3-1)22-11-13-9-15-16(10-13)21-8-6-19(15)14-4-7-20-12-14/h1-3,5,13-16H,4,6-12H2
InChIKeySPRXLQWBZCVPOT-UHFFFAOYSA-N
XLogP1.73
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine with MolForge

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Related Compounds

[(4aS,6R,7aR)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridin-2-ylmethanone
CID 124790230
(4aR,6S,7aR)-6-(pyridin-2-yloxymethyl)-4-(thiophen-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97378210
4-(furan-2-ylmethyl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131641590
2-[6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 155834701
(4aS,6R,7aR)-4-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124815213
(4aR,7aR)-4-(furan-3-ylmethyl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127022679
[(4aR,6R,7aR)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(furan-3-yl)methanone
CID 124520277
[(4aS,6S,7aR)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(furan-3-yl)methanone
CID 97378238
(4aS,6S,7aR)-4-(2-chloro-5-ethylpyrimidin-4-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 171678567
1-[6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155856702
(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124817621
2-(1,3-dioxolan-2-ylmethoxy)pyridine
CID 69476681

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 134074418) is 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is c1ccc(OCC2CC3OCCN(C4CCOC4)C3C2)nc1.
What is the InChIKey of 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is SPRXLQWBZCVPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-5-18-17(3-1)22-11-13-9-15-16(10-13)21-8-6-19(15)14-4-7-20-12-14/h1-3,5,13-16H,4,6-12H2.
What are the key properties of 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 304.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 134074418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).