4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline

C19H19FN2O3S — CID 99620886

IUPAC4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline
SMILESCc1ccc(-c2cc(CNc3ccc(F)cc3CS(C)(=O)=O)on2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-13-3-5-14(6-4-13)19-10-17(25-22-19)11-21-18-8-7-16(20)9-15(18)12-26(2,23)24/h3-10,21H,11-12H2,1-2H3
InChIKeyRWOAJUHFQQFBKX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.95
Rot. Bonds6

About 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline

4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline (PubChem CID 99620886) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline
PubChem CID99620886
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline
SMILESCc1ccc(-c2cc(CNc3ccc(F)cc3CS(C)(=O)=O)on2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-13-3-5-14(6-4-13)19-10-17(25-22-19)11-21-18-8-7-16(20)9-15(18)12-26(2,23)24/h3-10,21H,11-12H2,1-2H3
InChIKeyRWOAJUHFQQFBKX-UHFFFAOYSA-N
XLogP3.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylsulfonylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 56790662
2-[5-fluoro-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenoxy]acetonitrile
CID 99695487
N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide
CID 100625375
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-(methylsulfonylmethyl)aniline
CID 167829248
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
sodium [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanesulfinate
CID 165455866
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 55234103
N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
CID 84600225
5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
CID 62376263
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline?
The IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline (CID 99620886) is 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline is Cc1ccc(-c2cc(CNc3ccc(F)cc3CS(C)(=O)=O)on2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline?
The InChIKey is RWOAJUHFQQFBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-13-3-5-14(6-4-13)19-10-17(25-22-19)11-21-18-8-7-16(20)9-15(18)12-26(2,23)24/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline?
4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline has a molecular weight of 374.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 99620886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).