1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C26H27N3O3 — CID 123376021

IUPAC1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccccc1-c1cccc(N2CC(C3CCN(C(=O)c4ncco4)CC3)CC2=O)c1
InChIInChI=1S/C26H27N3O3/c1-18-5-2-3-8-23(18)20-6-4-7-22(15-20)29-17-21(16-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14-15,19,21H,9-10,12-13,16-17H2,1H3
InChIKeyVZVHVTBAUYOOQF-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.56
Rot. Bonds4

About 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 123376021) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID123376021
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccccc1-c1cccc(N2CC(C3CCN(C(=O)c4ncco4)CC3)CC2=O)c1
InChIInChI=1S/C26H27N3O3/c1-18-5-2-3-8-23(18)20-6-4-7-22(15-20)29-17-21(16-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14-15,19,21H,9-10,12-13,16-17H2,1H3
InChIKeyVZVHVTBAUYOOQF-UHFFFAOYSA-N
XLogP4.56
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 123376021) is 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one is Cc1ccccc1-c1cccc(N2CC(C3CCN(C(=O)c4ncco4)CC3)CC2=O)c1.
What is the InChIKey of 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is VZVHVTBAUYOOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-5-2-3-8-23(18)20-6-4-7-22(15-20)29-17-21(16-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14-15,19,21H,9-10,12-13,16-17H2,1H3.
What are the key properties of 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 429.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 123376021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).