[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone

C27H25N3O4S — CID 24992533

IUPAC[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C27H25N3O4S/c1-20-19-29(27(31)23-10-6-3-7-11-23)16-17-30(20)35(32,33)24-14-12-22(13-15-24)26-18-25(28-34-26)21-8-4-2-5-9-21/h2-15,18,20H,16-17,19H2,1H3/t20-/m1/s1
InChIKeyUZHBTXVWAZOQPA-HXUWFJFHSA-N
MW487.58 g/mol
LogP4.54
Rot. Bonds5

About [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone

[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone (PubChem CID 24992533) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
PubChem CID24992533
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C27H25N3O4S/c1-20-19-29(27(31)23-10-6-3-7-11-23)16-17-30(20)35(32,33)24-14-12-22(13-15-24)26-18-25(28-34-26)21-8-4-2-5-9-21/h2-15,18,20H,16-17,19H2,1H3/t20-/m1/s1
InChIKeyUZHBTXVWAZOQPA-HXUWFJFHSA-N
XLogP4.54
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 75251241
[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2,6-dichloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione
CID 59007142
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
4-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]benzoic acid
CID 120552705
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
(5-phenyl-1,2-oxazol-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46649465
[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 24996662
[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24749936

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone (CID 24992533) is [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The InChIKey is UZHBTXVWAZOQPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-20-19-29(27(31)23-10-6-3-7-11-23)16-17-30(20)35(32,33)24-14-12-22(13-15-24)26-18-25(28-34-26)21-8-4-2-5-9-21/h2-15,18,20H,16-17,19H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone has a molecular weight of 487.58 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 24992533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).