ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate

C10H14N2O3S — CID 60564844

IUPACethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1noc(C2CC2)n1
InChIInChI=1S/C10H14N2O3S/c1-2-14-9(13)6-16-5-8-11-10(15-12-8)7-3-4-7/h7H,2-6H2,1H3
InChIKeyQAWFTLUZQPFSIY-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.74
Rot. Bonds6

About ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate

ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate (PubChem CID 60564844) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
PubChem CID60564844
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1noc(C2CC2)n1
InChIInChI=1S/C10H14N2O3S/c1-2-14-9(13)6-16-5-8-11-10(15-12-8)7-3-4-7/h7H,2-6H2,1H3
InChIKeyQAWFTLUZQPFSIY-UHFFFAOYSA-N
XLogP1.74
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate (CID 60564844) is ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1noc(C2CC2)n1.
What is the InChIKey of ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The InChIKey is QAWFTLUZQPFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-14-9(13)6-16-5-8-11-10(15-12-8)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate has a molecular weight of 242.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate is sourced from PubChem (CID 60564844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).