ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate

C8H10N6O3 — CID 79317940

IUPACethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1nc(C)no1
InChIInChI=1S/C8H10N6O3/c1-3-16-8(15)7-10-12-13-14(7)4-6-9-5(2)11-17-6/h3-4H2,1-2H3
InChIKeyCQVVIKXPNNEPBL-UHFFFAOYSA-N
MW238.21 g/mol
LogP-0.41
Rot. Bonds4

About ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate

ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate (PubChem CID 79317940) has the molecular formula C8H10N6O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
PubChem CID79317940
Molecular FormulaC8H10N6O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Nameethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1nc(C)no1
InChIInChI=1S/C8H10N6O3/c1-3-16-8(15)7-10-12-13-14(7)4-6-9-5(2)11-17-6/h3-4H2,1-2H3
InChIKeyCQVVIKXPNNEPBL-UHFFFAOYSA-N
XLogP-0.41
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
CID 79309077
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
ethyl 1-[(3,5-difluorophenyl)methyl]tetrazole-5-carboxylate
CID 105411051
ethyl 1-[(5-bromofuran-2-yl)methyl]tetrazole-5-carboxylate
CID 79317853
ethyl 1-(3,3-dimethylbutyl)tetrazole-5-carboxylate
CID 79317604
ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
CID 79309593
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947
ethyl 1-(2-hydroxy-2-methylbutyl)tetrazole-5-carboxylate
CID 114497664
ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate
CID 79317933

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate (CID 79317940) is ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1Cc1nc(C)no1.
What is the InChIKey of ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The InChIKey is CQVVIKXPNNEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O3/c1-3-16-8(15)7-10-12-13-14(7)4-6-9-5(2)11-17-6/h3-4H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate has a molecular weight of 238.21 g/mol, XLogP of -0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).