ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate

C10H12N4O3 — CID 82895462

IUPACethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cncn2C)no1
InChIInChI=1S/C10H12N4O3/c1-3-16-9(15)4-8-12-10(13-17-8)7-5-11-6-14(7)2/h5-6H,3-4H2,1-2H3
InChIKeyIPVOJGSOCJKBTE-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.58
Rot. Bonds4

About ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate

ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 82895462) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID82895462
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cncn2C)no1
InChIInChI=1S/C10H12N4O3/c1-3-16-9(15)4-8-12-10(13-17-8)7-5-11-6-14(7)2/h5-6H,3-4H2,1-2H3
InChIKeyIPVOJGSOCJKBTE-UHFFFAOYSA-N
XLogP0.58
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 82895652
ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 82887921
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82903104
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
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-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 82895451
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82895457
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
6-methyl-2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-amine
CID 172722784
4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 82895452
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate (CID 82895462) is ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2cncn2C)no1.
What is the InChIKey of ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is IPVOJGSOCJKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-16-9(15)4-8-12-10(13-17-8)7-5-11-6-14(7)2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 236.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 82895462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).