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

C14H12FN5O2 — CID 91889354

IUPAC6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C14H12FN5O2/c1-8-16-14(22-18-8)13-11-7-21-12(6-20(11)19-17-13)9-2-4-10(15)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyQCTZCVGLZJSBIX-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.05
Rot. Bonds2

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

6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889354) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889354
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C14H12FN5O2/c1-8-16-14(22-18-8)13-11-7-21-12(6-20(11)19-17-13)9-2-4-10(15)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyQCTZCVGLZJSBIX-UHFFFAOYSA-N
XLogP2.05
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.05
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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889354) is 6-(4-fluorophenyl)-3-(3-methyl-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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Cc1noc(-c2nnn3c2COC(c2ccc(F)cc2)C3)n1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is QCTZCVGLZJSBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-8-16-14(22-18-8)13-11-7-21-12(6-20(11)19-17-13)9-2-4-10(15)5-3-9/h2-5,12H,6-7H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 301.28 g/mol, XLogP of 2.05, 2 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-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).