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

C19H21FN2O2 — CID 97380735

IUPAC(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESFc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1
InChIInChI=1S/C19H21FN2O2/c20-15-6-4-14(5-7-15)13-22-11-12-23-19-16(22)8-9-17(19)24-18-3-1-2-10-21-18/h1-7,10,16-17,19H,8-9,11-13H2/t16-,17+,19+/m0/s1
InChIKeyHUWIKRIHNGOORC-YQVWRLOYSA-N
MW328.39 g/mol
LogP3.03
Rot. Bonds4

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

(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 97380735) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID97380735
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESFc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1
InChIInChI=1S/C19H21FN2O2/c20-15-6-4-14(5-7-15)13-22-11-12-23-19-16(22)8-9-17(19)24-18-3-1-2-10-21-18/h1-7,10,16-17,19H,8-9,11-13H2/t16-,17+,19+/m0/s1
InChIKeyHUWIKRIHNGOORC-YQVWRLOYSA-N
XLogP3.03
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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[2-[[4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]phenyl]boronic acid
CID 137650998
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CID 71062567
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-2-yloxymethyl)morpholine
CID 71062829
1-[2-Phenyl-2-(2-pyridinyloxy)ethyl]piperidine
CID 222747
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol
CID 110146551
(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol
CID 110146554
4-[(3-Fluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine
CID 124075456
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine
CID 71086389
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Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 97380735) is (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is Fc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1.
What is the InChIKey of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is HUWIKRIHNGOORC-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-15-6-4-14(5-7-15)13-22-11-12-23-19-16(22)8-9-17(19)24-18-3-1-2-10-21-18/h1-7,10,16-17,19H,8-9,11-13H2/t16-,17+,19+/m0/s1.
What are the key properties of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 328.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 97380735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).