5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine

C12H14N2O3S — CID 116832393

IUPAC5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(-c2cnc(NC)o2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-18(15,16)10-6-4-9(5-7-10)11-8-14-12(13-2)17-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyLGNWEZUROKZONM-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.18
Rot. Bonds4

About 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine

5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832393) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832393
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(-c2cnc(NC)o2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-18(15,16)10-6-4-9(5-7-10)11-8-14-12(13-2)17-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyLGNWEZUROKZONM-UHFFFAOYSA-N
XLogP2.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329848
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
N-[5-ethylsulfonyl-2-[2-(triazol-1-yl)ethoxy]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 10048827
N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958826
4-[5-[4-(methylaminomethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonic acid
CID 88570500
N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
CID 144513424
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(2-phenylpyrimidin-4-yl)phenyl]-1,3-oxazol-2-amine
CID 18439730
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide
CID 91556449

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832393) is 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(-c2cnc(NC)o2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is LGNWEZUROKZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-18(15,16)10-6-4-9(5-7-10)11-8-14-12(13-2)17-11/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine?
5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 266.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).