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

C24H22FN3O3 — CID 22553183

IUPACN-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-19-12-10-17(11-13-19)16-27-21(29)9-5-15-28-23-20(8-4-14-26-23)31-22(24(28)30)18-6-2-1-3-7-18/h1-4,6-8,10-14,22H,5,9,15-16H2,(H,27,29)
InChIKeyUJZPANYMNAYADK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.78
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553183) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553183
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-19-12-10-17(11-13-19)16-27-21(29)9-5-15-28-23-20(8-4-14-26-23)31-22(24(28)30)18-6-2-1-3-7-18/h1-4,6-8,10-14,22H,5,9,15-16H2,(H,27,29)
InChIKeyUJZPANYMNAYADK-UHFFFAOYSA-N
XLogP3.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553183) is N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is O=C(CCCN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is UJZPANYMNAYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-19-12-10-17(11-13-19)16-27-21(29)9-5-15-28-23-20(8-4-14-26-23)31-22(24(28)30)18-6-2-1-3-7-18/h1-4,6-8,10-14,22H,5,9,15-16H2,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 419.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).