2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C22H24ClN3O3S — CID 2354466

IUPAC2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCN1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H24ClN3O3S/c1-3-25-12-14-26(15-13-25)22-21(30(27,28)19-10-4-16(2)5-11-19)24-20(29-22)17-6-8-18(23)9-7-17/h4-11H,3,12-15H2,1-2H3
InChIKeyCQSDMVQRMVLEOZ-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 2354466) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID2354466
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCN1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H24ClN3O3S/c1-3-25-12-14-26(15-13-25)22-21(30(27,28)19-10-4-16(2)5-11-19)24-20(29-22)17-6-8-18(23)9-7-17/h4-11H,3,12-15H2,1-2H3
InChIKeyCQSDMVQRMVLEOZ-UHFFFAOYSA-N
XLogP4.28
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 2354466) is 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is CCN1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is CQSDMVQRMVLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-3-25-12-14-26(15-13-25)22-21(30(27,28)19-10-4-16(2)5-11-19)24-20(29-22)17-6-8-18(23)9-7-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 445.97 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 2354466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).