5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine

C8H15N3O — CID 143642002

IUPAC5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESC[C@H](c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C8H15N3O/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11)/t5-/m1/s1
InChIKeyONEOEQRGASCKPV-RXMQYKEDSA-N
MW169.23 g/mol
LogP1.80
Rot. Bonds1

About 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine

5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 143642002) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID143642002
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESC[C@H](c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C8H15N3O/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11)/t5-/m1/s1
InChIKeyONEOEQRGASCKPV-RXMQYKEDSA-N
XLogP1.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine (CID 143642002) is 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine is C[C@H](c1nnc(N)o1)C(C)(C)C.
What is the InChIKey of 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ONEOEQRGASCKPV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11)/t5-/m1/s1.
What are the key properties of 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine?
5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 169.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 143642002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).