2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole

C20H21N3O3S — CID 22583081

IUPAC2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)co1
InChIInChI=1S/C20H21N3O3S/c1-16-21-20(15-26-16)17-7-9-19(10-8-17)27(24,25)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyRRVAKPMYIZJLHI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole

2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole (PubChem CID 22583081) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole
PubChem CID22583081
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)co1
InChIInChI=1S/C20H21N3O3S/c1-16-21-20(15-26-16)17-7-9-19(10-8-17)27(24,25)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyRRVAKPMYIZJLHI-UHFFFAOYSA-N
XLogP3.16
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole (CID 22583081) is 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)co1.
What is the InChIKey of 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole?
The InChIKey is RRVAKPMYIZJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-16-21-20(15-26-16)17-7-9-19(10-8-17)27(24,25)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole?
2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole has a molecular weight of 383.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-oxazole is sourced from PubChem (CID 22583081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).