ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C14H20N2O3S — CID 79471230

IUPACethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(CSC3CCCC3)no2)CC1
InChIInChI=1S/C14H20N2O3S/c1-2-18-13(17)14(7-8-14)12-15-11(16-19-12)9-20-10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyGUPWODHUCGSUEO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.84
Rot. Bonds6

About ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79471230) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79471230
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(CSC3CCCC3)no2)CC1
InChIInChI=1S/C14H20N2O3S/c1-2-18-13(17)14(7-8-14)12-15-11(16-19-12)9-20-10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyGUPWODHUCGSUEO-UHFFFAOYSA-N
XLogP2.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79471230) is ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc(CSC3CCCC3)no2)CC1.
What is the InChIKey of ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is GUPWODHUCGSUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-18-13(17)14(7-8-14)12-15-11(16-19-12)9-20-10-5-3-4-6-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79471230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).