5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C16H13FN2O3 — CID 137462861

IUPAC5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)OC2)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-15-5-3-2-4-12(15)11-7-6-10(8-13(11)17)14-9-22-16(20)19-18-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyJLLUECMSUDEWAK-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.95
Rot. Bonds3

About 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462861) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462861
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)OC2)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-15-5-3-2-4-12(15)11-7-6-10(8-13(11)17)14-9-22-16(20)19-18-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyJLLUECMSUDEWAK-UHFFFAOYSA-N
XLogP2.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

CID 154663815
CID 154663815
CID 154663822
CID 154663822
(6S)-5-[4-butoxy-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663828
(6S)-5-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663835
(6S)-6-methyl-5-[4-propoxy-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663839
methyl N-[(E)-1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 9611400
methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate
CID 9656047
ethyl N-[(E)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 9658134
US11427553, Example 180
CID 137462667
US11427553, Example 76
CID 137462731
US11427553, Example 105
CID 137462735
US11427553, Example 106
CID 137462743

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462861) is 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is COc1ccccc1-c1ccc(C2=NNC(=O)OC2)cc1F.
What is the InChIKey of 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is JLLUECMSUDEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-15-5-3-2-4-12(15)11-7-6-10(8-13(11)17)14-9-22-16(20)19-18-14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 300.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methoxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).