N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

C14H21N3OS — CID 63348436

IUPACN-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ccsc2)no1)C(C)(C)C
InChIInChI=1S/C14H21N3OS/c1-5-15-11(14(2,3)4)8-12-16-13(17-18-12)10-6-7-19-9-10/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyLQTUEANRDDMXKB-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63348436) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63348436
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ccsc2)no1)C(C)(C)C
InChIInChI=1S/C14H21N3OS/c1-5-15-11(14(2,3)4)8-12-16-13(17-18-12)10-6-7-19-9-10/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyLQTUEANRDDMXKB-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347420
N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65198230
N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350562
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347289
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63718564
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63348436) is N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCNC(Cc1nc(-c2ccsc2)no1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is LQTUEANRDDMXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-15-11(14(2,3)4)8-12-16-13(17-18-12)10-6-7-19-9-10/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63348436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).