5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

C19H21ClN4O3S — CID 125012750

IUPAC5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1
InChIInChI=1S/C19H21ClN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-5-4-8-17(24)19-21-11-15(27-19)10-14-6-2-3-7-16(14)20/h2-3,6-7,11-13,17H,4-5,8-10H2,1H3/t17-/m1/s1
InChIKeyWABRJMQURPDORQ-QGZVFWFLSA-N
MW420.92 g/mol
LogP3.57
Rot. Bonds5

About 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (PubChem CID 125012750) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
PubChem CID125012750
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1
InChIInChI=1S/C19H21ClN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-5-4-8-17(24)19-21-11-15(27-19)10-14-6-2-3-7-16(14)20/h2-3,6-7,11-13,17H,4-5,8-10H2,1H3/t17-/m1/s1
InChIKeyWABRJMQURPDORQ-QGZVFWFLSA-N
XLogP3.57
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124998057
5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 110121353
4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617109
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110120572
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 155902667
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124989865
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 124952542
1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 124949387
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110120557

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (CID 125012750) is 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The InChIKey is WABRJMQURPDORQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-5-4-8-17(24)19-21-11-15(27-19)10-14-6-2-3-7-16(14)20/h2-3,6-7,11-13,17H,4-5,8-10H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole has a molecular weight of 420.92 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 125012750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).