5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

C21H23N3O — CID 11660010

IUPAC5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCCC1
InChIInChI=1S/C21H23N3O/c1-16-20(10-15-24-13-2-3-14-24)23-21(25-16)19-6-4-17(5-7-19)18-8-11-22-12-9-18/h4-9,11-12H,2-3,10,13-15H2,1H3
InChIKeyQWVFQYXIBZLFFD-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.35
Rot. Bonds5

About 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (PubChem CID 11660010) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
PubChem CID11660010
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCCC1
InChIInChI=1S/C21H23N3O/c1-16-20(10-15-24-13-2-3-14-24)23-21(25-16)19-6-4-17(5-7-19)18-8-11-22-12-9-18/h4-9,11-12H,2-3,10,13-15H2,1H3
InChIKeyQWVFQYXIBZLFFD-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (CID 11660010) is 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCCC1.
What is the InChIKey of 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The InChIKey is QWVFQYXIBZLFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-20(10-15-24-13-2-3-14-24)23-21(25-16)19-6-4-17(5-7-19)18-8-11-22-12-9-18/h4-9,11-12H,2-3,10,13-15H2,1H3.
What are the key properties of 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole has a molecular weight of 333.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-pyridin-4-ylphenyl)-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 11660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).