1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one

C25H29N5O2 — CID 11524818

IUPAC1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(N3CCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1
InChIInChI=1S/C25H29N5O2/c1-18-27-23(17-32-18)19-5-7-22(8-6-19)30-11-9-21(25(30)31)16-20-4-3-10-26-24(20)29-14-12-28(2)13-15-29/h3-8,10,17,21H,9,11-16H2,1-2H3
InChIKeyLKTLKWGQMFMARI-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one

1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 11524818) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID11524818
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(N3CCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1
InChIInChI=1S/C25H29N5O2/c1-18-27-23(17-32-18)19-5-7-22(8-6-19)30-11-9-21(25(30)31)16-20-4-3-10-26-24(20)29-14-12-28(2)13-15-29/h3-8,10,17,21H,9,11-16H2,1-2H3
InChIKeyLKTLKWGQMFMARI-UHFFFAOYSA-N
XLogP3.39
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one (CID 11524818) is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one is Cc1nc(-c2ccc(N3CCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1.
What is the InChIKey of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is LKTLKWGQMFMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-27-23(17-32-18)19-5-7-22(8-6-19)30-11-9-21(25(30)31)16-20-4-3-10-26-24(20)29-14-12-28(2)13-15-29/h3-8,10,17,21H,9,11-16H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11524818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).