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

C17H12FN5O2S — CID 99744004

IUPAC(6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C17H12FN5O2S/c18-12-3-1-10(2-4-12)14-7-23-13(8-24-14)15(20-22-23)17-19-16(21-25-17)11-5-6-26-9-11/h1-6,9,14H,7-8H2/t14-/m0/s1
InChIKeyUZMFZVHBFOVBAC-AWEZNQCLSA-N
MW369.38 g/mol
LogP3.47
Rot. Bonds3

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

(6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99744004) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99744004
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC Name(6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C17H12FN5O2S/c18-12-3-1-10(2-4-12)14-7-23-13(8-24-14)15(20-22-23)17-19-16(21-25-17)11-5-6-26-9-11/h1-6,9,14H,7-8H2/t14-/m0/s1
InChIKeyUZMFZVHBFOVBAC-AWEZNQCLSA-N
XLogP3.47
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99744004) is (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is UZMFZVHBFOVBAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c18-12-3-1-10(2-4-12)14-7-23-13(8-24-14)15(20-22-23)17-19-16(21-25-17)11-5-6-26-9-11/h1-6,9,14H,7-8H2/t14-/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 369.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99744004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).