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

C22H25ClN4O3 — CID 67381213

IUPAC3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H25ClN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-16(3)13-30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3
InChIKeyCFIKRKIXCFRWCE-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.66
Rot. Bonds3

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

3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67381213) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67381213
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H25ClN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-16(3)13-30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3
InChIKeyCFIKRKIXCFRWCE-UHFFFAOYSA-N
XLogP3.66
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 67381213) is 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3Cl)CC2)c(C)c1.
What is the InChIKey of 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CFIKRKIXCFRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-16(3)13-30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3.
What are the key properties of 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 428.92 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67381213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).