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

C22H23N3O4S — CID 4794475

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-10-19(11-9-16)30(27,28)25-14-12-24(13-15-25)22(26)20-17(2)29-23-21(20)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3
InChIKeyLIKBBRCZTNTUHF-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.11
Rot. Bonds4

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4794475) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4794475
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-10-19(11-9-16)30(27,28)25-14-12-24(13-15-25)22(26)20-17(2)29-23-21(20)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3
InChIKeyLIKBBRCZTNTUHF-UHFFFAOYSA-N
XLogP3.11
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 4794475) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is LIKBBRCZTNTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-8-10-19(11-9-16)30(27,28)25-14-12-24(13-15-25)22(26)20-17(2)29-23-21(20)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 425.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4794475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).