[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone

C16H17ClN2O4S — CID 121164338

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1
InChIInChI=1S/C16H17ClN2O4S/c1-3-24(21,22)11-8-19(9-11)16(20)14-10(2)23-18-15(14)12-6-4-5-7-13(12)17/h4-7,11H,3,8-9H2,1-2H3
InChIKeyIVNYPDWTZBIQBU-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.56
Rot. Bonds4

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone (PubChem CID 121164338) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone
PubChem CID121164338
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1
InChIInChI=1S/C16H17ClN2O4S/c1-3-24(21,22)11-8-19(9-11)16(20)14-10(2)23-18-15(14)12-6-4-5-7-13(12)17/h4-7,11H,3,8-9H2,1-2H3
InChIKeyIVNYPDWTZBIQBU-UHFFFAOYSA-N
XLogP2.56
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187368
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886891
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 78815860
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
N-butyl-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
CID 78865229

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone (CID 121164338) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone is CCS(=O)(=O)C1CN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone?
The InChIKey is IVNYPDWTZBIQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-3-24(21,22)11-8-19(9-11)16(20)14-10(2)23-18-15(14)12-6-4-5-7-13(12)17/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone has a molecular weight of 368.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 121164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).