(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

C25H33ClN4O6S — CID 67380997

IUPAC(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(C)c(C)cc3C)CC2)c(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C25H32N4O6S.ClH/c1-16-12-17(2)23(26-18(16)3)27-8-10-28(11-9-27)24(30)21-7-6-19(13-22(21)36(5,32)33)29-20(14-34-4)15-35-25(29)31;/h6-7,12-13,20H,8-11,14-15H2,1-5H3;1H/t20-;/m1./s1
InChIKeyZNZPKDAFMSFJBE-VEIFNGETSA-N
MW553.08 g/mol
LogP2.77
Rot. Bonds6

About (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67380997) has the molecular formula C25H33ClN4O6S and a molecular weight of 553.08 g/mol. Its IUPAC name is (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID67380997
Molecular FormulaC25H33ClN4O6S
Molecular Weight553.08 g/mol
Exact Mass552.18
IUPAC Name(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(C)c(C)cc3C)CC2)c(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C25H32N4O6S.ClH/c1-16-12-17(2)23(26-18(16)3)27-8-10-28(11-9-27)24(30)21-7-6-19(13-22(21)36(5,32)33)29-20(14-34-4)15-35-25(29)31;/h6-7,12-13,20H,8-11,14-15H2,1-5H3;1H/t20-;/m1./s1
InChIKeyZNZPKDAFMSFJBE-VEIFNGETSA-N
XLogP2.77
TPSA109.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 67380997) is (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is COC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(C)c(C)cc3C)CC2)c(S(C)(=O)=O)c1.Cl.
What is the InChIKey of (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is ZNZPKDAFMSFJBE-VEIFNGETSA-N. The full InChI is InChI=1S/C25H32N4O6S.ClH/c1-16-12-17(2)23(26-18(16)3)27-8-10-28(11-9-27)24(30)21-7-6-19(13-22(21)36(5,32)33)29-20(14-34-4)15-35-25(29)31;/h6-7,12-13,20H,8-11,14-15H2,1-5H3;1H/t20-;/m1./s1.
What are the key properties of (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 553.08 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).