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

C11H15N3OS — CID 61326280

IUPAC2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)8(12)9-13-10(15-14-9)7-5-4-6-16-7/h4-6,8H,12H2,1-3H3
InChIKeyNOUXHTCGKBHTFQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.84
Rot. Bonds2

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

2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 61326280) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID61326280
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)8(12)9-13-10(15-14-9)7-5-4-6-16-7/h4-6,8H,12H2,1-3H3
InChIKeyNOUXHTCGKBHTFQ-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 61326280) is 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is CC(C)(C)C(N)c1noc(-c2cccs2)n1.
What is the InChIKey of 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is NOUXHTCGKBHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,3)8(12)9-13-10(15-14-9)7-5-4-6-16-7/h4-6,8H,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 2.84, 2 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-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 61326280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).