4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one

C25H28N2O7S — CID 67382032

IUPAC4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OCC4CO)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C25H28N2O7S/c1-16-3-5-17(6-4-16)23(29)18-9-11-26(12-10-18)24(30)21-8-7-19(13-22(21)35(2,32)33)27-20(14-28)15-34-25(27)31/h3-8,13,18,20,28H,9-12,14-15H2,1-2H3
InChIKeyVHZWJGWIGUMFNY-UHFFFAOYSA-N
MW500.57 g/mol
LogP2.45
Rot. Bonds6

About 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one

4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one (PubChem CID 67382032) has the molecular formula C25H28N2O7S and a molecular weight of 500.57 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
PubChem CID67382032
Molecular FormulaC25H28N2O7S
Molecular Weight500.57 g/mol
Exact Mass500.16
IUPAC Name4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OCC4CO)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C25H28N2O7S/c1-16-3-5-17(6-4-16)23(29)18-9-11-26(12-10-18)24(30)21-8-7-19(13-22(21)35(2,32)33)27-20(14-28)15-34-25(27)31/h3-8,13,18,20,28H,9-12,14-15H2,1-2H3
InChIKeyVHZWJGWIGUMFNY-UHFFFAOYSA-N
XLogP2.45
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382025
3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67381086
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-propyl-1,3-oxazolidin-2-one
CID 77275896
(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
(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 67381179
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 141265377
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381318
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58484644
1-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]azetidine-2-carbaldehyde
CID 174672949

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one (CID 67382032) is 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OCC4CO)cc3S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is VHZWJGWIGUMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O7S/c1-16-3-5-17(6-4-16)23(29)18-9-11-26(12-10-18)24(30)21-8-7-19(13-22(21)35(2,32)33)27-20(14-28)15-34-25(27)31/h3-8,13,18,20,28H,9-12,14-15H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 500.57 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).