3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one

C23H28N4O3 — CID 67381449

IUPAC3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H28N4O3/c1-15-11-17(3)21(24-13-15)25-7-9-26(10-8-25)22(28)19-5-6-20(16(2)12-19)27-18(4)14-30-23(27)29/h5-6,11-13,18H,7-10,14H2,1-4H3
InChIKeyCLKJXBJCSCQAEE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.31
Rot. Bonds3

About 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67381449) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67381449
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H28N4O3/c1-15-11-17(3)21(24-13-15)25-7-9-26(10-8-25)22(28)19-5-6-20(16(2)12-19)27-18(4)14-30-23(27)29/h5-6,11-13,18H,7-10,14H2,1-4H3
InChIKeyCLKJXBJCSCQAEE-UHFFFAOYSA-N
XLogP3.31
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380764
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380763
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484827
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381213
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67384675
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484526

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one (CID 67381449) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CLKJXBJCSCQAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-11-17(3)21(24-13-15)25-7-9-26(10-8-25)22(28)19-5-6-20(16(2)12-19)27-18(4)14-30-23(27)29/h5-6,11-13,18H,7-10,14H2,1-4H3.
What are the key properties of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one?
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67381449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).