(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine

C15H19ClN2O2 — CID 134158253

IUPAC(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(Cl)cc1-c1ccno1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)7-12(17)9-19-14-4-3-11(16)8-13(14)15-5-6-18-20-15/h3-6,8,10,12H,7,9,17H2,1-2H3/t12-/m0/s1
InChIKeyAKPYTTODFDPQJD-LBPRGKRZSA-N
MW294.78 g/mol
LogP3.75
Rot. Bonds6

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

(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine (PubChem CID 134158253) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
PubChem CID134158253
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(Cl)cc1-c1ccno1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)7-12(17)9-19-14-4-3-11(16)8-13(14)15-5-6-18-20-15/h3-6,8,10,12H,7,9,17H2,1-2H3/t12-/m0/s1
InChIKeyAKPYTTODFDPQJD-LBPRGKRZSA-N
XLogP3.75
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine (CID 134158253) is (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine is CC(C)C[C@H](N)COc1ccc(Cl)cc1-c1ccno1.
What is the InChIKey of (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The InChIKey is AKPYTTODFDPQJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)7-12(17)9-19-14-4-3-11(16)8-13(14)15-5-6-18-20-15/h3-6,8,10,12H,7,9,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
(2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine has a molecular weight of 294.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine is sourced from PubChem (CID 134158253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).