1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide

C17H16N2O4S — CID 71997691

IUPAC1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-24(21,13-15-10-11-22-19-15)18-12-14-6-4-5-9-17(14)23-16-7-2-1-3-8-16/h1-11,18H,12-13H2
InChIKeyBHUMXRQVCKUONR-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.09
Rot. Bonds7

About 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide

1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide (PubChem CID 71997691) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
PubChem CID71997691
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-24(21,13-15-10-11-22-19-15)18-12-14-6-4-5-9-17(14)23-16-7-2-1-3-8-16/h1-11,18H,12-13H2
InChIKeyBHUMXRQVCKUONR-UHFFFAOYSA-N
XLogP3.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
(2-methylphenyl) 1,2-oxazol-3-ylmethanesulfonate
CID 56806995
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene
CID 86864079
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793
4-[(2-phenoxyphenyl)methylamino]benzoic acid
CID 71055366
1-(1,2-benzoxazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanesulfonamide
CID 90624581
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71985540
1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 72719861
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71975844
2-[2-[(1,2-oxazol-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 81170413
3-[(2-methoxyphenyl)methyl]-1,2-oxazole
CID 174471268

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide (CID 71997691) is 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccon1)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide?
The InChIKey is BHUMXRQVCKUONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-24(21,13-15-10-11-22-19-15)18-12-14-6-4-5-9-17(14)23-16-7-2-1-3-8-16/h1-11,18H,12-13H2.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide?
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 71997691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).