2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C11H15N3O2S — CID 116740355

IUPAC2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCC(C)(OC)c1noc(-c2sccc2N)n1
InChIInChI=1S/C11H15N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7(12)5-6-17-8/h5-6H,4,12H2,1-3H3
InChIKeyLPJZUDHOCFTPHK-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.65
Rot. Bonds4

About 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 116740355) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID116740355
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCC(C)(OC)c1noc(-c2sccc2N)n1
InChIInChI=1S/C11H15N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7(12)5-6-17-8/h5-6H,4,12H2,1-3H3
InChIKeyLPJZUDHOCFTPHK-UHFFFAOYSA-N
XLogP2.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 29034351
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116740285
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 79975488
3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116740359
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017694
6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116740303
4-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116740534
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527236
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116742281

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 116740355) is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is CCC(C)(OC)c1noc(-c2sccc2N)n1.
What is the InChIKey of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is LPJZUDHOCFTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7(12)5-6-17-8/h5-6H,4,12H2,1-3H3.
What are the key properties of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 253.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 116740355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).