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

C9H14N2O3 — CID 79004032

IUPACethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-4-13-8(12)5-7-10-9(6(2)3)11-14-7/h6H,4-5H2,1-3H3
InChIKeyKJPDYIDXMBLPKJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.30
Rot. Bonds4

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

ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79004032) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79004032
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-4-13-8(12)5-7-10-9(6(2)3)11-14-7/h6H,4-5H2,1-3H3
InChIKeyKJPDYIDXMBLPKJ-UHFFFAOYSA-N
XLogP1.30
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
ethyl 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744036
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 55540151
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
CID 55539803
ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
CID 90326142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate (CID 79004032) is ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)Cc1nc(C(C)C)no1.
What is the InChIKey of ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is KJPDYIDXMBLPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-8(12)5-7-10-9(6(2)3)11-14-7/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79004032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).