(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine

C8H14N2O — CID 166692011

IUPAC(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1ncco1
InChIInChI=1S/C8H14N2O/c1-3-6(2)7(9)8-10-4-5-11-8/h4-7H,3,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyCBOYNJRDMDAJHR-BQBZGAKWSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds3

About (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine

(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine (PubChem CID 166692011) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
PubChem CID166692011
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1ncco1
InChIInChI=1S/C8H14N2O/c1-3-6(2)7(9)8-10-4-5-11-8/h4-7H,3,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyCBOYNJRDMDAJHR-BQBZGAKWSA-N
XLogP1.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine?
The IUPAC name of (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine (CID 166692011) is (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine.
What is the SMILES notation for (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine?
The canonical SMILES for (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine is CC[C@H](C)[C@H](N)c1ncco1.
What is the InChIKey of (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine?
The InChIKey is CBOYNJRDMDAJHR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-6(2)7(9)8-10-4-5-11-8/h4-7H,3,9H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine?
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine is sourced from PubChem (CID 166692011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).