N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine

C23H21N3O4S — CID 5329872

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccncc4)c3)o2)c1
InChIInChI=1S/C23H21N3O4S/c1-3-31(27,28)19-7-8-21(29-2)20(14-19)26-23-25-15-22(30-23)18-6-4-5-17(13-18)16-9-11-24-12-10-16/h4-15H,3H2,1-2H3,(H,25,26)
InChIKeyQFOCOODPWRLBNO-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.95
Rot. Bonds7

About N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine (PubChem CID 5329872) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine
PubChem CID5329872
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccncc4)c3)o2)c1
InChIInChI=1S/C23H21N3O4S/c1-3-31(27,28)19-7-8-21(29-2)20(14-19)26-23-25-15-22(30-23)18-6-4-5-17(13-18)16-9-11-24-12-10-16/h4-15H,3H2,1-2H3,(H,25,26)
InChIKeyQFOCOODPWRLBNO-UHFFFAOYSA-N
XLogP4.95
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine (CID 5329872) is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccncc4)c3)o2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine?
The InChIKey is QFOCOODPWRLBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-3-31(27,28)19-7-8-21(29-2)20(14-19)26-23-25-15-22(30-23)18-6-4-5-17(13-18)16-9-11-24-12-10-16/h4-15H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine has a molecular weight of 435.51 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).