(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C17H24N2O2 — CID 97365949

IUPAC(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3C2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-2-5-13(4-1)19-10-11-20-17-15(19)7-8-16(17)21-14-6-3-9-18-12-14/h3,6,9,12-13,15-17H,1-2,4-5,7-8,10-11H2/t15-,16-,17+/m0/s1
InChIKeyZYJJHYIVOPHMGE-YESZJQIVSA-N
MW288.39 g/mol
LogP2.63
Rot. Bonds3

About (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 97365949) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID97365949
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3C2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-2-5-13(4-1)19-10-11-20-17-15(19)7-8-16(17)21-14-6-3-9-18-12-14/h3,6,9,12-13,15-17H,1-2,4-5,7-8,10-11H2/t15-,16-,17+/m0/s1
InChIKeyZYJJHYIVOPHMGE-YESZJQIVSA-N
XLogP2.63
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 97365949) is (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3C2CCCC2)c1.
What is the InChIKey of (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is ZYJJHYIVOPHMGE-YESZJQIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-5-13(4-1)19-10-11-20-17-15(19)7-8-16(17)21-14-6-3-9-18-12-14/h3,6,9,12-13,15-17H,1-2,4-5,7-8,10-11H2/t15-,16-,17+/m0/s1.
What are the key properties of (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 288.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S,7aR)-4-cyclopentyl-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 97365949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).