3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one

C13H13N3O3S — CID 75381263

IUPAC3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(Cc2csc(-c3ccoc3)n2)c(=O)o1
InChIInChI=1S/C13H13N3O3S/c1-2-3-11-15-16(13(17)19-11)6-10-8-20-12(14-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyJKCOOBZMUIBIKT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.55
Rot. Bonds5

About 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one

3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 75381263) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID75381263
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(Cc2csc(-c3ccoc3)n2)c(=O)o1
InChIInChI=1S/C13H13N3O3S/c1-2-3-11-15-16(13(17)19-11)6-10-8-20-12(14-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyJKCOOBZMUIBIKT-UHFFFAOYSA-N
XLogP2.55
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one (CID 75381263) is 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(Cc2csc(-c3ccoc3)n2)c(=O)o1.
What is the InChIKey of 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is JKCOOBZMUIBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-3-11-15-16(13(17)19-11)6-10-8-20-12(14-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 291.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).