5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole

C21H23N3O — CID 72706531

IUPAC5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C21H23N3O/c1-16-19(23-21(25-16)17-8-3-2-4-9-17)13-12-18-10-7-11-20(22-18)24-14-5-6-15-24/h2-4,7-11H,5-6,12-15H2,1H3
InChIKeyISJIXMDJZKWENV-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.43
Rot. Bonds5

About 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole (PubChem CID 72706531) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole
PubChem CID72706531
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C21H23N3O/c1-16-19(23-21(25-16)17-8-3-2-4-9-17)13-12-18-10-7-11-20(22-18)24-14-5-6-15-24/h2-4,7-11H,5-6,12-15H2,1H3
InChIKeyISJIXMDJZKWENV-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole (CID 72706531) is 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1.
What is the InChIKey of 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole?
The InChIKey is ISJIXMDJZKWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-19(23-21(25-16)17-8-3-2-4-9-17)13-12-18-10-7-11-20(22-18)24-14-5-6-15-24/h2-4,7-11H,5-6,12-15H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole has a molecular weight of 333.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 72706531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).