N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C23H20FN3O3 — CID 22553156

IUPACN-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)Nc1cccc(F)c1
InChIInChI=1S/C23H20FN3O3/c24-17-9-4-10-18(15-17)26-20(28)12-6-14-27-22-19(11-5-13-25-22)30-21(23(27)29)16-7-2-1-3-8-16/h1-5,7-11,13,15,21H,6,12,14H2,(H,26,28)
InChIKeyPNPZEDWKMOIRIH-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.11
Rot. Bonds6

About N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553156) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553156
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)Nc1cccc(F)c1
InChIInChI=1S/C23H20FN3O3/c24-17-9-4-10-18(15-17)26-20(28)12-6-14-27-22-19(11-5-13-25-22)30-21(23(27)29)16-7-2-1-3-8-16/h1-5,7-11,13,15,21H,6,12,14H2,(H,26,28)
InChIKeyPNPZEDWKMOIRIH-UHFFFAOYSA-N
XLogP4.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553156) is N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is O=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is PNPZEDWKMOIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-17-9-4-10-18(15-17)26-20(28)12-6-14-27-22-19(11-5-13-25-22)30-21(23(27)29)16-7-2-1-3-8-16/h1-5,7-11,13,15,21H,6,12,14H2,(H,26,28).
What are the key properties of N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 405.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).