5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C19H16N2O4S — CID 19332854

IUPAC5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(OCc2ccc(-c3nc(-c4cccs4)no3)o2)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-22-13-5-7-14(8-6-13)23-12-15-9-10-16(24-15)19-20-18(21-25-19)17-4-3-11-26-17/h3-11H,2,12H2,1H3
InChIKeyXCZPTJBURJAXFD-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.04
Rot. Bonds7

About 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19332854) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19332854
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(OCc2ccc(-c3nc(-c4cccs4)no3)o2)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-22-13-5-7-14(8-6-13)23-12-15-9-10-16(24-15)19-20-18(21-25-19)17-4-3-11-26-17/h3-11H,2,12H2,1H3
InChIKeyXCZPTJBURJAXFD-UHFFFAOYSA-N
XLogP5.04
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332929
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542166
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037538
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323282
1-[4-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methoxy]phenyl]ethanone
CID 19326322
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
(4-fluorophenyl)-[4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38906192
3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326495

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19332854) is 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is CCOc1ccc(OCc2ccc(-c3nc(-c4cccs4)no3)o2)cc1.
What is the InChIKey of 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is XCZPTJBURJAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-22-13-5-7-14(8-6-13)23-12-15-9-10-16(24-15)19-20-18(21-25-19)17-4-3-11-26-17/h3-11H,2,12H2,1H3.
What are the key properties of 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 368.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19332854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).