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

C21H25N3O2 — CID 118420107

IUPAC(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(-c3ccno3)c2)ccn1
InChIInChI=1S/C21H25N3O2/c1-14(2)10-18(22)13-25-20-5-4-16(17-6-8-23-15(3)11-17)12-19(20)21-7-9-24-26-21/h4-9,11-12,14,18H,10,13,22H2,1-3H3/t18-/m0/s1
InChIKeyYBETWJGSSWPXMC-SFHVURJKSA-N
MW351.45 g/mol
LogP4.46
Rot. Bonds7

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

(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine (PubChem CID 118420107) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
PubChem CID118420107
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(-c3ccno3)c2)ccn1
InChIInChI=1S/C21H25N3O2/c1-14(2)10-18(22)13-25-20-5-4-16(17-6-8-23-15(3)11-17)12-19(20)21-7-9-24-26-21/h4-9,11-12,14,18H,10,13,22H2,1-3H3/t18-/m0/s1
InChIKeyYBETWJGSSWPXMC-SFHVURJKSA-N
XLogP4.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.46
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-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine (CID 118420107) is (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine is Cc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(-c3ccno3)c2)ccn1.
What is the InChIKey of (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
The InChIKey is YBETWJGSSWPXMC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)10-18(22)13-25-20-5-4-16(17-6-8-23-15(3)11-17)12-19(20)21-7-9-24-26-21/h4-9,11-12,14,18H,10,13,22H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine?
(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine has a molecular weight of 351.45 g/mol, XLogP of 4.46, 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-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine is sourced from PubChem (CID 118420107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).