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

C15H20FNO2 — CID 97380461

IUPAC(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-18-14-7-6-13-15(14)19-9-8-17(13)10-11-2-4-12(16)5-3-11/h2-5,13-15H,6-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyUGXOQTUIIMBSCD-RRFJBIMHSA-N
MW265.33 g/mol
LogP2.20
Rot. Bonds3

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

(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 97380461) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-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-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID97380461
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-18-14-7-6-13-15(14)19-9-8-17(13)10-11-2-4-12(16)5-3-11/h2-5,13-15H,6-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyUGXOQTUIIMBSCD-RRFJBIMHSA-N
XLogP2.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(4-fluorophenyl)methanone
CID 97365320
[(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-fluorophenyl)methanone
CID 97365326
(4aS,7S,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365732
(4aS,7S,7aR)-4-[(3,4-difluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365750
(4aS,7R,7aR)-7-ethoxy-4-[(4-fluorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380492
(4aS,7R,7aR)-7-(cyclopropylmethoxy)-4-[(4-fluorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380582
(4aS,7R,7aR)-7-(cyclopentylmethoxy)-4-[(4-fluorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380605
(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380625
(3S,3aS,7aR)-1-[(2-fluorophenyl)methyl]-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461483
(4aS,7R,7aR)-4-[(3,4-difluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97950214
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-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-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 97380461) is (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-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-methoxy-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-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1.
What is the InChIKey of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is UGXOQTUIIMBSCD-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-18-14-7-6-13-15(14)19-9-8-17(13)10-11-2-4-12(16)5-3-11/h2-5,13-15H,6-10H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 265.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-4-[(4-fluorophenyl)methyl]-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 97380461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).