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

C24H25N3O2 — CID 118419942

IUPAC(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1
InChIInChI=1S/C24H25N3O2/c1-16(2)13-18(25)15-28-23-8-7-17(14-21(23)24-10-12-27-29-24)19-9-11-26-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15,25H2,1-2H3/t18-/m0/s1
InChIKeyWEFLUGRYMPIUCL-SFHVURJKSA-N
MW387.48 g/mol
LogP5.31
Rot. Bonds7

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

(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine (PubChem CID 118419942) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine
PubChem CID118419942
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1
InChIInChI=1S/C24H25N3O2/c1-16(2)13-18(25)15-28-23-8-7-17(14-21(23)24-10-12-27-29-24)19-9-11-26-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15,25H2,1-2H3/t18-/m0/s1
InChIKeyWEFLUGRYMPIUCL-SFHVURJKSA-N
XLogP5.31
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine (CID 118419942) is (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine is CC(C)C[C@H](N)COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1.
What is the InChIKey of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine?
The InChIKey is WEFLUGRYMPIUCL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)13-18(25)15-28-23-8-7-17(14-21(23)24-10-12-27-29-24)19-9-11-26-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15,25H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine?
(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine has a molecular weight of 387.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-amine is sourced from PubChem (CID 118419942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).