5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole

C21H22FN3O3S — CID 20935762

IUPAC5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)on1
InChIInChI=1S/C21H22FN3O3S/c1-15-3-4-17(20-13-16(2)23-28-20)14-21(15)29(26,27)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyBNFTWJKYYKVKPN-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.61
Rot. Bonds4

About 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole (PubChem CID 20935762) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
PubChem CID20935762
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)on1
InChIInChI=1S/C21H22FN3O3S/c1-15-3-4-17(20-13-16(2)23-28-20)14-21(15)29(26,27)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyBNFTWJKYYKVKPN-UHFFFAOYSA-N
XLogP3.61
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole (CID 20935762) is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)on1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The InChIKey is BNFTWJKYYKVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-15-3-4-17(20-13-16(2)23-28-20)14-21(15)29(26,27)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole has a molecular weight of 415.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20935762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).