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

C10H14N2O3 — CID 118142334

IUPACethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nnc(C2CC2)o1
InChIInChI=1S/C10H14N2O3/c1-3-14-10(13)6(2)8-11-12-9(15-8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyBOZPMGQIGJVBNJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.61
Rot. Bonds4

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

ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 118142334) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID118142334
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nnc(C2CC2)o1
InChIInChI=1S/C10H14N2O3/c1-3-14-10(13)6(2)8-11-12-9(15-8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyBOZPMGQIGJVBNJ-UHFFFAOYSA-N
XLogP1.61
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate (CID 118142334) is ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate is CCOC(=O)C(C)c1nnc(C2CC2)o1.
What is the InChIKey of ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is BOZPMGQIGJVBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-14-10(13)6(2)8-11-12-9(15-8)7-4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 118142334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).