3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol

C15H20FNO2 — CID 79086726

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)C2CN3CCCC3CO2)c1
InChIInChI=1S/C15H20FNO2/c1-10-4-5-13(16)12(7-10)15(18)14-8-17-6-2-3-11(17)9-19-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyNHFGOVIZFUJXFT-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.03
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol (PubChem CID 79086726) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol
PubChem CID79086726
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)C2CN3CCCC3CO2)c1
InChIInChI=1S/C15H20FNO2/c1-10-4-5-13(16)12(7-10)15(18)14-8-17-6-2-3-11(17)9-19-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyNHFGOVIZFUJXFT-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol (CID 79086726) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol is Cc1ccc(F)c(C(O)C2CN3CCCC3CO2)c1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is NHFGOVIZFUJXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-4-5-13(16)12(7-10)15(18)14-8-17-6-2-3-11(17)9-19-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 265.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79086726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).