3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide

C20H18ClFN2O4S — CID 51725987

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H18ClFN2O4S/c1-11(13-7-9-14(10-8-13)29(3,26)27)23-20(25)17-12(2)28-24-19(17)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,23,25)/t11-/m1/s1
InChIKeyVAJSHGCCNDXGQA-LLVKDONJSA-N
MW436.89 g/mol
LogP4.34
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 51725987) has the molecular formula C20H18ClFN2O4S and a molecular weight of 436.89 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID51725987
Molecular FormulaC20H18ClFN2O4S
Molecular Weight436.89 g/mol
Exact Mass436.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H18ClFN2O4S/c1-11(13-7-9-14(10-8-13)29(3,26)27)23-20(25)17-12(2)28-24-19(17)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,23,25)/t11-/m1/s1
InChIKeyVAJSHGCCNDXGQA-LLVKDONJSA-N
XLogP4.34
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112765432
N-[(2S)-1-aminopropan-2-yl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120506272
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 9227682
3-(2-chloro-6-fluorophenyl)-N-[[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 28950712
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 51725987) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VAJSHGCCNDXGQA-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18ClFN2O4S/c1-11(13-7-9-14(10-8-13)29(3,26)27)23-20(25)17-12(2)28-24-19(17)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,23,25)/t11-/m1/s1.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).