[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone

C16H21ClN2O5S — CID 42240695

IUPAC[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCO3)cc2Cl)CC1
InChIInChI=1S/C16H21ClN2O5S/c1-25(21,22)18-8-5-13(6-9-18)24-15-4-3-12(11-14(15)17)16(20)19-7-2-10-23-19/h3-4,11,13H,2,5-10H2,1H3
InChIKeyRAHVVISKDIZVIB-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.92
Rot. Bonds4

About [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone

[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 42240695) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID42240695
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCO3)cc2Cl)CC1
InChIInChI=1S/C16H21ClN2O5S/c1-25(21,22)18-8-5-13(6-9-18)24-15-4-3-12(11-14(15)17)16(20)19-7-2-10-23-19/h3-4,11,13H,2,5-10H2,1H3
InChIKeyRAHVVISKDIZVIB-UHFFFAOYSA-N
XLogP1.92
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 42094721
[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
CID 42512088
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 45214837
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone
CID 45181445
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45231622
3-chloro-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72930889
3-chloro-N-[2-(diethylamino)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42462227
3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42518079
N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 26331767
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117456013

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone (CID 42240695) is [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone is CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCO3)cc2Cl)CC1.
What is the InChIKey of [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is RAHVVISKDIZVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c1-25(21,22)18-8-5-13(6-9-18)24-15-4-3-12(11-14(15)17)16(20)19-7-2-10-23-19/h3-4,11,13H,2,5-10H2,1H3.
What are the key properties of [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone?
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 388.87 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 42240695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).