2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide

C24H30N4O4 — CID 22560759

IUPAC2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1nc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)co1
InChIInChI=1S/C24H30N4O4/c1-24(2,23(30)28(3)4)22-27-20(16-32-22)17-7-9-19(10-8-17)31-13-12-26-15-21(29)18-6-5-11-25-14-18/h5-11,14,16,21,26,29H,12-13,15H2,1-4H3
InChIKeyRAELFHCAHGWXDS-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.80
Rot. Bonds10

About 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide

2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide (PubChem CID 22560759) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
PubChem CID22560759
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1nc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)co1
InChIInChI=1S/C24H30N4O4/c1-24(2,23(30)28(3)4)22-27-20(16-32-22)17-7-9-19(10-8-17)31-13-12-26-15-21(29)18-6-5-11-25-14-18/h5-11,14,16,21,26,29H,12-13,15H2,1-4H3
InChIKeyRAELFHCAHGWXDS-UHFFFAOYSA-N
XLogP2.80
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide (CID 22560759) is 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1nc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)co1.
What is the InChIKey of 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide?
The InChIKey is RAELFHCAHGWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-24(2,23(30)28(3)4)22-27-20(16-32-22)17-7-9-19(10-8-17)31-13-12-26-15-21(29)18-6-5-11-25-14-18/h5-11,14,16,21,26,29H,12-13,15H2,1-4H3.
What are the key properties of 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide?
2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 22560759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).