[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid

C23H18F3N3O4 — CID 67257667

IUPAC[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-c2nc3c(cc2-c2ccccc2)N(CC(F)(F)F)C(=O)CO3)cc1
InChIInChI=1S/C23H18F3N3O4/c24-23(25,26)13-29-18-10-17(15-4-2-1-3-5-15)20(28-21(18)33-12-19(29)30)16-8-6-14(7-9-16)11-27-22(31)32/h1-10,27H,11-13H2,(H,31,32)
InChIKeyJOBNCLSSUXFBSY-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.47
Rot. Bonds5

About [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid

[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid (PubChem CID 67257667) has the molecular formula C23H18F3N3O4 and a molecular weight of 457.41 g/mol. Its IUPAC name is [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid
PubChem CID67257667
Molecular FormulaC23H18F3N3O4
Molecular Weight457.41 g/mol
Exact Mass457.12
IUPAC Name[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-c2nc3c(cc2-c2ccccc2)N(CC(F)(F)F)C(=O)CO3)cc1
InChIInChI=1S/C23H18F3N3O4/c24-23(25,26)13-29-18-10-17(15-4-2-1-3-5-15)20(28-21(18)33-12-19(29)30)16-8-6-14(7-9-16)11-27-22(31)32/h1-10,27H,11-13H2,(H,31,32)
InChIKeyJOBNCLSSUXFBSY-UHFFFAOYSA-N
XLogP4.47
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid?
The IUPAC name of [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid (CID 67257667) is [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid is O=C(O)NCc1ccc(-c2nc3c(cc2-c2ccccc2)N(CC(F)(F)F)C(=O)CO3)cc1.
What is the InChIKey of [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid?
The InChIKey is JOBNCLSSUXFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4/c24-23(25,26)13-29-18-10-17(15-4-2-1-3-5-15)20(28-21(18)33-12-19(29)30)16-8-6-14(7-9-16)11-27-22(31)32/h1-10,27H,11-13H2,(H,31,32).
What are the key properties of [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid?
[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid has a molecular weight of 457.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid is sourced from PubChem (CID 67257667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).