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

C19H17N5O3S — CID 91889414

IUPAC6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCOc1ccc(C2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C19H17N5O3S/c1-2-25-14-5-3-12(4-6-14)16-9-24-15(10-26-16)17(21-23-24)19-20-18(22-27-19)13-7-8-28-11-13/h3-8,11,16H,2,9-10H2,1H3
InChIKeyFTPQPSAYESVOMU-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.73
Rot. Bonds5

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

6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889414) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-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 Name6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889414
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCOc1ccc(C2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C19H17N5O3S/c1-2-25-14-5-3-12(4-6-14)16-9-24-15(10-26-16)17(21-23-24)19-20-18(22-27-19)13-7-8-28-11-13/h3-8,11,16H,2,9-10H2,1H3
InChIKeyFTPQPSAYESVOMU-UHFFFAOYSA-N
XLogP3.73
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-ethoxyphenyl)-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 6-(4-ethoxyphenyl)-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 6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889414) is 6-(4-ethoxyphenyl)-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 6-(4-ethoxyphenyl)-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 6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is CCOc1ccc(C2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-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 FTPQPSAYESVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-2-25-14-5-3-12(4-6-14)16-9-24-15(10-26-16)17(21-23-24)19-20-18(22-27-19)13-7-8-28-11-13/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-ethoxyphenyl)-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 395.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-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 91889414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).