6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C18H13FN4O2S — CID 87053801

IUPAC6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C18H13FN4O2S/c19-13-3-1-11(2-4-13)15-7-23-10-20-16(14(23)8-24-15)18-21-17(22-25-18)12-5-6-26-9-12/h1-6,9-10,15H,7-8H2
InChIKeyINVWMWBKFWUMCN-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.07
Rot. Bonds3

About 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 87053801) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID87053801
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1
InChIInChI=1S/C18H13FN4O2S/c19-13-3-1-11(2-4-13)15-7-23-10-20-16(14(23)8-24-15)18-21-17(22-25-18)12-5-6-26-9-12/h1-6,9-10,15H,7-8H2
InChIKeyINVWMWBKFWUMCN-UHFFFAOYSA-N
XLogP4.07
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 87053801) is 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is INVWMWBKFWUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-13-3-1-11(2-4-13)15-7-23-10-20-16(14(23)8-24-15)18-21-17(22-25-18)12-5-6-26-9-12/h1-6,9-10,15H,7-8H2.
What are the key properties of 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 368.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 87053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).