(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine

C15H20N2O2 — CID 134158165

IUPAC(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccccc1-c1ccno1
InChIInChI=1S/C15H20N2O2/c1-11(2)9-12(16)10-18-14-6-4-3-5-13(14)15-7-8-17-19-15/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyXDRAHSQLKQXHQH-LBPRGKRZSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds6

About (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine

(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine (PubChem CID 134158165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
PubChem CID134158165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccccc1-c1ccno1
InChIInChI=1S/C15H20N2O2/c1-11(2)9-12(16)10-18-14-6-4-3-5-13(14)15-7-8-17-19-15/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyXDRAHSQLKQXHQH-LBPRGKRZSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine (CID 134158165) is (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine is CC(C)C[C@H](N)COc1ccccc1-c1ccno1.
What is the InChIKey of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The InChIKey is XDRAHSQLKQXHQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)9-12(16)10-18-14-6-4-3-5-13(14)15-7-8-17-19-15/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine is sourced from PubChem (CID 134158165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).