ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate

C11H18N2O3 — CID 79020202

IUPACethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCc1noc(C(CC)C(=O)OCC)n1
InChIInChI=1S/C11H18N2O3/c1-4-7-9-12-10(16-13-9)8(5-2)11(14)15-6-3/h8H,4-7H2,1-3H3
InChIKeyASVNDMUXCZTOEB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.08
Rot. Bonds6

About ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate

ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 79020202) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID79020202
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCc1noc(C(CC)C(=O)OCC)n1
InChIInChI=1S/C11H18N2O3/c1-4-7-9-12-10(16-13-9)8(5-2)11(14)15-6-3/h8H,4-7H2,1-3H3
InChIKeyASVNDMUXCZTOEB-UHFFFAOYSA-N
XLogP2.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79475173
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79474595
ethyl 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704739
ethyl 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474835
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
ethyl 4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475320
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704706
ethyl 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 107917955
ethyl 4-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475476
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
ethyl 2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butanoate
CID 79471568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate (CID 79020202) is ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate is CCCc1noc(C(CC)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is ASVNDMUXCZTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-7-9-12-10(16-13-9)8(5-2)11(14)15-6-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 226.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 79020202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).