1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

C18H19N3O3S2 — CID 55558078

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
SMILESCCCc1noc(C(C)OC(=O)c2ccccc2SCc2cscn2)n1
InChIInChI=1S/C18H19N3O3S2/c1-3-6-16-20-17(24-21-16)12(2)23-18(22)14-7-4-5-8-15(14)26-10-13-9-25-11-19-13/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyXVQIVIGNKPHRLB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.69
Rot. Bonds8

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate (PubChem CID 55558078) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
PubChem CID55558078
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
SMILESCCCc1noc(C(C)OC(=O)c2ccccc2SCc2cscn2)n1
InChIInChI=1S/C18H19N3O3S2/c1-3-6-16-20-17(24-21-16)12(2)23-18(22)14-7-4-5-8-15(14)26-10-13-9-25-11-19-13/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyXVQIVIGNKPHRLB-UHFFFAOYSA-N
XLogP4.69
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 42894160
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18229352
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55538051
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155250
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155278
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155241
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55522849
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18208639
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 33236343
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55538053
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate (CID 55558078) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate is CCCc1noc(C(C)OC(=O)c2ccccc2SCc2cscn2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate?
The InChIKey is XVQIVIGNKPHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-3-6-16-20-17(24-21-16)12(2)23-18(22)14-7-4-5-8-15(14)26-10-13-9-25-11-19-13/h4-5,7-9,11-12H,3,6,10H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate?
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate has a molecular weight of 389.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate is sourced from PubChem (CID 55558078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).