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

C11H10N6O3S — CID 79309077

IUPACethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C11H10N6O3S/c1-2-19-11(18)10-13-15-16-17(10)6-8-12-9(14-20-8)7-4-3-5-21-7/h3-5H,2,6H2,1H3
InChIKeySUWTYTZDQJULJD-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.01
Rot. Bonds5

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

ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate (PubChem CID 79309077) has the molecular formula C11H10N6O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
PubChem CID79309077
Molecular FormulaC11H10N6O3S
Molecular Weight306.31 g/mol
Exact Mass306.05
IUPAC Nameethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C11H10N6O3S/c1-2-19-11(18)10-13-15-16-17(10)6-8-12-9(14-20-8)7-4-3-5-21-7/h3-5H,2,6H2,1H3
InChIKeySUWTYTZDQJULJD-UHFFFAOYSA-N
XLogP1.01
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfanylbenzoate
CID 8508147
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78825450
5-tert-butyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 71969957
N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 134045410
5,6-dimethyl-3-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9380342
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
(4-butoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900914
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate (CID 79309077) is ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1Cc1nc(-c2cccs2)no1.
What is the InChIKey of ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
The InChIKey is SUWTYTZDQJULJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3S/c1-2-19-11(18)10-13-15-16-17(10)6-8-12-9(14-20-8)7-4-3-5-21-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate?
ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79309077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).