3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid

C12H12N2O5S — CID 117477482

IUPAC3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(c1cccc(-c2cc(C(=O)O)on2)c1)S(C)(=O)=O
InChIInChI=1S/C12H12N2O5S/c1-14(20(2,17)18)9-5-3-4-8(6-9)10-7-11(12(15)16)19-13-10/h3-7H,1-2H3,(H,15,16)
InChIKeyLRDRUZLMIMOANJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.44
Rot. Bonds4

About 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117477482) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117477482
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(c1cccc(-c2cc(C(=O)O)on2)c1)S(C)(=O)=O
InChIInChI=1S/C12H12N2O5S/c1-14(20(2,17)18)9-5-3-4-8(6-9)10-7-11(12(15)16)19-13-10/h3-7H,1-2H3,(H,15,16)
InChIKeyLRDRUZLMIMOANJ-UHFFFAOYSA-N
XLogP1.44
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
CID 117421444
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453436
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112565
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid (CID 117477482) is 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid is CN(c1cccc(-c2cc(C(=O)O)on2)c1)S(C)(=O)=O.
What is the InChIKey of 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LRDRUZLMIMOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-14(20(2,17)18)9-5-3-4-8(6-9)10-7-11(12(15)16)19-13-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117477482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).