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

C17H16N2O3S — CID 5329848

IUPACN-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H16N2O3S/c1-2-23(20,21)15-10-6-9-14(11-15)19-17-18-12-16(22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyZSUBOTGCWWCVOR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.88
Rot. Bonds5

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

N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329848) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329848
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H16N2O3S/c1-2-23(20,21)15-10-6-9-14(11-15)19-17-18-12-16(22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyZSUBOTGCWWCVOR-UHFFFAOYSA-N
XLogP3.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832393
N-[5-ethylsulfonyl-2-[2-(triazol-1-yl)ethoxy]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 10048827
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(2-phenylpyrimidin-4-yl)phenyl]-1,3-oxazol-2-amine
CID 18439730
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
CID 71472294
[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl] benzoate
CID 18439660
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
CID 11572645
2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
CID 75512661
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 11395732

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329848) is N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine is CCS(=O)(=O)c1cccc(Nc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is ZSUBOTGCWWCVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-23(20,21)15-10-6-9-14(11-15)19-17-18-12-16(22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 328.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).