5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole

C22H25N3O — CID 11653148

IUPAC5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccccn3)cc2)nc1CCN1CCCC1C
InChIInChI=1S/C22H25N3O/c1-16-6-5-14-25(16)15-12-20-17(2)26-22(24-20)19-10-8-18(9-11-19)21-7-3-4-13-23-21/h3-4,7-11,13,16H,5-6,12,14-15H2,1-2H3
InChIKeyVELSUFWFSPOTDF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.74
Rot. Bonds5

About 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole

5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole (PubChem CID 11653148) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole
PubChem CID11653148
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccccn3)cc2)nc1CCN1CCCC1C
InChIInChI=1S/C22H25N3O/c1-16-6-5-14-25(16)15-12-20-17(2)26-22(24-20)19-10-8-18(9-11-19)21-7-3-4-13-23-21/h3-4,7-11,13,16H,5-6,12,14-15H2,1-2H3
InChIKeyVELSUFWFSPOTDF-UHFFFAOYSA-N
XLogP4.74
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole (CID 11653148) is 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3ccccn3)cc2)nc1CCN1CCCC1C.
What is the InChIKey of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The InChIKey is VELSUFWFSPOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-6-5-14-25(16)15-12-20-17(2)26-22(24-20)19-10-8-18(9-11-19)21-7-3-4-13-23-21/h3-4,7-11,13,16H,5-6,12,14-15H2,1-2H3.
What are the key properties of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole has a molecular weight of 347.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-(4-pyridin-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 11653148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).