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

C17H18FN5O2 — CID 91889357

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)c1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C17H18FN5O2/c1-17(2,3)16-19-15(25-21-16)14-12-9-24-13(8-23(12)22-20-14)10-4-6-11(18)7-5-10/h4-7,13H,8-9H2,1-3H3
InChIKeyGYDLZPMEWSRMML-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.04
Rot. Bonds2

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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889357) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889357
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)c1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C17H18FN5O2/c1-17(2,3)16-19-15(25-21-16)14-12-9-24-13(8-23(12)22-20-14)10-4-6-11(18)7-5-10/h4-7,13H,8-9H2,1-3H3
InChIKeyGYDLZPMEWSRMML-UHFFFAOYSA-N
XLogP3.04
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889357) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is CC(C)(C)c1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is GYDLZPMEWSRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-17(2,3)16-19-15(25-21-16)14-12-9-24-13(8-23(12)22-20-14)10-4-6-11(18)7-5-10/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 343.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).