1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H25N5O3 — CID 122654125

IUPAC1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ncccc1-c1cccc(N2CC(N3CCN(C(=O)c4ncco4)CC3)CC2=O)c1
InChIInChI=1S/C24H25N5O3/c1-17-21(6-3-7-25-17)18-4-2-5-19(14-18)29-16-20(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h2-8,13-14,20H,9-12,15-16H2,1H3
InChIKeyZEVXZALHFJTMSB-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654125) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654125
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ncccc1-c1cccc(N2CC(N3CCN(C(=O)c4ncco4)CC3)CC2=O)c1
InChIInChI=1S/C24H25N5O3/c1-17-21(6-3-7-25-17)18-4-2-5-19(14-18)29-16-20(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h2-8,13-14,20H,9-12,15-16H2,1H3
InChIKeyZEVXZALHFJTMSB-UHFFFAOYSA-N
XLogP2.61
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654125) is 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ncccc1-c1cccc(N2CC(N3CCN(C(=O)c4ncco4)CC3)CC2=O)c1.
What is the InChIKey of 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is ZEVXZALHFJTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-21(6-3-7-25-17)18-4-2-5-19(14-18)29-16-20(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h2-8,13-14,20H,9-12,15-16H2,1H3.
What are the key properties of 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).