2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one

C23H16FNO3 — CID 171978215

IUPAC2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one
SMILESO=c1oc(-c2ccc(F)cc2)ncc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H16FNO3/c24-18-12-10-17(11-13-18)22-25-14-20(23(26)28-22)19-8-4-5-9-21(19)27-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyNBEFTCMFCDVWFJ-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.09
Rot. Bonds5

About 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one

2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one (PubChem CID 171978215) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one
PubChem CID171978215
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one
SMILESO=c1oc(-c2ccc(F)cc2)ncc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H16FNO3/c24-18-12-10-17(11-13-18)22-25-14-20(23(26)28-22)19-8-4-5-9-21(19)27-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyNBEFTCMFCDVWFJ-UHFFFAOYSA-N
XLogP5.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one (CID 171978215) is 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one is O=c1oc(-c2ccc(F)cc2)ncc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one?
The InChIKey is NBEFTCMFCDVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-18-12-10-17(11-13-18)22-25-14-20(23(26)28-22)19-8-4-5-9-21(19)27-15-16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one?
2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one has a molecular weight of 373.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 171978215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).