6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C19H13F2N5O2 — CID 91889330

IUPAC6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1
InChIInChI=1S/C19H13F2N5O2/c20-12-7-5-11(6-8-12)16-9-26-15(10-27-16)17(23-25-26)19-22-18(24-28-19)13-3-1-2-4-14(13)21/h1-8,16H,9-10H2
InChIKeySXWXNJWFFTXCDU-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.54
Rot. Bonds3

About 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889330) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889330
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1
InChIInChI=1S/C19H13F2N5O2/c20-12-7-5-11(6-8-12)16-9-26-15(10-27-16)17(23-25-26)19-22-18(24-28-19)13-3-1-2-4-14(13)21/h1-8,16H,9-10H2
InChIKeySXWXNJWFFTXCDU-UHFFFAOYSA-N
XLogP3.54
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889330) is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is SXWXNJWFFTXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-12-7-5-11(6-8-12)16-9-26-15(10-27-16)17(23-25-26)19-22-18(24-28-19)13-3-1-2-4-14(13)21/h1-8,16H,9-10H2.
What are the key properties of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 381.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).