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

C14H14FNO2 — CID 69076534

IUPAC(4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCC=C2COC[C@@H](c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h2,4-7,13H,1,3,8-9H2/t13-/m0/s1
InChIKeyDDSHIMIPXTYMBB-ZDUSSCGKSA-N
MW247.27 g/mol
LogP2.40
Rot. Bonds1

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

(4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 69076534) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID69076534
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCC=C2COC[C@@H](c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h2,4-7,13H,1,3,8-9H2/t13-/m0/s1
InChIKeyDDSHIMIPXTYMBB-ZDUSSCGKSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (CID 69076534) is (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCC=C2COC[C@@H](c3ccc(F)cc3)N12.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is DDSHIMIPXTYMBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h2,4-7,13H,1,3,8-9H2/t13-/m0/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
(4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 247.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 69076534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).