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

C9H12N2O3 — CID 11116961

IUPACethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CC2)no1
InChIInChI=1S/C9H12N2O3/c1-2-13-8(12)5-7-10-9(11-14-7)6-3-4-6/h6H,2-5H2,1H3
InChIKeyQQMHSZRJZCQTDW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.05
Rot. Bonds4

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

ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 11116961) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID11116961
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CC2)no1
InChIInChI=1S/C9H12N2O3/c1-2-13-8(12)5-7-10-9(11-14-7)6-3-4-6/h6H,2-5H2,1H3
InChIKeyQQMHSZRJZCQTDW-UHFFFAOYSA-N
XLogP1.05
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate (CID 11116961) is ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)Cc1nc(C2CC2)no1.
What is the InChIKey of ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is QQMHSZRJZCQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-13-8(12)5-7-10-9(11-14-7)6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 11116961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).