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

C10H16N2O3 — CID 58747624

IUPACethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-5-14-8(13)6-7-11-12-9(15-7)10(2,3)4/h5-6H2,1-4H3
InChIKeyTZQUHMUJCZLSQE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.47
Rot. Bonds3

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

ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate (PubChem CID 58747624) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
PubChem CID58747624
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-5-14-8(13)6-7-11-12-9(15-7)10(2,3)4/h5-6H2,1-4H3
InChIKeyTZQUHMUJCZLSQE-UHFFFAOYSA-N
XLogP1.47
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate
CID 166109898
tert-butyl 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 53419962
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
CID 55212087
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62138113
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
ethyl 2-[5-(benzylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 141463340
ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethyl 2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)acetate
CID 22759395
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55123359

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate (CID 58747624) is ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate is CCOC(=O)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate?
The InChIKey is TZQUHMUJCZLSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-14-8(13)6-7-11-12-9(15-7)10(2,3)4/h5-6H2,1-4H3.
What are the key properties of ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate?
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate is sourced from PubChem (CID 58747624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).