(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one

C14H14FNO3 — CID 69072726

IUPAC(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCC=C2[C@H](O)OCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h2,4-7,12,14,18H,1,3,8H2/t12?,14-/m1/s1
InChIKeyVNHIXPGMQLKYAU-TYZXPVIJSA-N
MW263.27 g/mol
LogP1.72
Rot. Bonds1

About (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one

(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 69072726) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID69072726
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCC=C2[C@H](O)OCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h2,4-7,12,14,18H,1,3,8H2/t12?,14-/m1/s1
InChIKeyVNHIXPGMQLKYAU-TYZXPVIJSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (CID 69072726) is (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCC=C2[C@H](O)OCC(c3ccc(F)cc3)N12.
What is the InChIKey of (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is VNHIXPGMQLKYAU-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h2,4-7,12,14,18H,1,3,8H2/t12?,14-/m1/s1.
What are the key properties of (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
(1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 263.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(4-fluorophenyl)-1-hydroxy-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 69072726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).