5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole

C19H20ClN3O4S — CID 46292522

IUPAC5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(-c3ccno3)oc2C)CC1
InChIInChI=1S/C19H20ClN3O4S/c1-13-3-4-15(20)11-16(13)22-7-9-23(10-8-22)28(24,25)19-12-18(26-14(19)2)17-5-6-21-27-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMJSHEWBGEIDQET-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.72
Rot. Bonds4

About 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole

5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole (PubChem CID 46292522) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
PubChem CID46292522
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(-c3ccno3)oc2C)CC1
InChIInChI=1S/C19H20ClN3O4S/c1-13-3-4-15(20)11-16(13)22-7-9-23(10-8-22)28(24,25)19-12-18(26-14(19)2)17-5-6-21-27-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMJSHEWBGEIDQET-UHFFFAOYSA-N
XLogP3.72
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine
CID 95717272
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 20958802
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178553
1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine
CID 42285572
[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53336733
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole (CID 46292522) is 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(-c3ccno3)oc2C)CC1.
What is the InChIKey of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole?
The InChIKey is MJSHEWBGEIDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-13-3-4-15(20)11-16(13)22-7-9-23(10-8-22)28(24,25)19-12-18(26-14(19)2)17-5-6-21-27-17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole?
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole has a molecular weight of 421.91 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole is sourced from PubChem (CID 46292522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).