(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone

C16H18ClN3O5S — CID 18119578

IUPAC(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C16H18ClN3O5S/c1-10-15(11(2)25-18-10)26(23,24)20-7-5-19(6-8-20)16(22)13-9-12(17)3-4-14(13)21/h3-4,9,21H,5-8H2,1-2H3
InChIKeyVAHHTFLCDQWBRC-UHFFFAOYSA-N
MW399.86 g/mol
LogP1.80
Rot. Bonds3

About (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone

(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone (PubChem CID 18119578) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
PubChem CID18119578
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C16H18ClN3O5S/c1-10-15(11(2)25-18-10)26(23,24)20-7-5-19(6-8-20)16(22)13-9-12(17)3-4-14(13)21/h3-4,9,21H,5-8H2,1-2H3
InChIKeyVAHHTFLCDQWBRC-UHFFFAOYSA-N
XLogP1.80
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569871
(2,4-difluorophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150819
(3-bromo-2-hydroxy-5-methylphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 55928835
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26995914
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 27733634
(2-bromo-5-fluorophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone
CID 41362911

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone (CID 18119578) is (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The InChIKey is VAHHTFLCDQWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c1-10-15(11(2)25-18-10)26(23,24)20-7-5-19(6-8-20)16(22)13-9-12(17)3-4-14(13)21/h3-4,9,21H,5-8H2,1-2H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone has a molecular weight of 399.86 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 18119578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).