N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline

C15H20N2O5S2 — CID 133312059

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
SMILESCc1noc(C)c1C(C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S2/c1-9(15-10(2)17-22-11(15)3)16-13-7-6-12(23(4,18)19)8-14(13)24(5,20)21/h6-9,16H,1-5H3
InChIKeySVKNTJGOEVUAFW-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline (PubChem CID 133312059) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
PubChem CID133312059
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
SMILESCc1noc(C)c1C(C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S2/c1-9(15-10(2)17-22-11(15)3)16-13-7-6-12(23(4,18)19)8-14(13)24(5,20)21/h6-9,16H,1-5H3
InChIKeySVKNTJGOEVUAFW-UHFFFAOYSA-N
XLogP2.27
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(difluoromethylsulfonyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-nitroaniline
CID 133312071
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133477638
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
2,4-bis(methylsulfonyl)-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]aniline
CID 97018973
N-[1-(2-chloro-6-fluorophenyl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133356473
N-(dicyclopentylmethyl)-2,4-bis(methylsulfonyl)aniline
CID 133306325
methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
CID 79231115
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-2-nitroaniline
CID 102605183
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline (CID 133312059) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline is Cc1noc(C)c1C(C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline?
The InChIKey is SVKNTJGOEVUAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c1-9(15-10(2)17-22-11(15)3)16-13-7-6-12(23(4,18)19)8-14(13)24(5,20)21/h6-9,16H,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline has a molecular weight of 372.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline is sourced from PubChem (CID 133312059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).