2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C14H21N3OS — CID 61323618

IUPAC2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(CCCc2cccs2)n1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)12(15)13-16-11(18-17-13)8-4-6-10-7-5-9-19-10/h5,7,9,12H,4,6,8,15H2,1-3H3
InChIKeyLXDRUAYFWOHKJK-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.35
Rot. Bonds5

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

2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61323618) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61323618
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(CCCc2cccs2)n1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)12(15)13-16-11(18-17-13)8-4-6-10-7-5-9-19-10/h5,7,9,12H,4,6,8,15H2,1-3H3
InChIKeyLXDRUAYFWOHKJK-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine with MolForge

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Related Compounds

2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325485
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326280
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323629
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
1-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 63047196
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
CID 71920891
2-methyl-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111554088
1-ethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258686
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61323618) is 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)(C)C(N)c1noc(CCCc2cccs2)n1.
What is the InChIKey of 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is LXDRUAYFWOHKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-14(2,3)12(15)13-16-11(18-17-13)8-4-6-10-7-5-9-19-10/h5,7,9,12H,4,6,8,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61323618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).