N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide

C26H24N2O4S — CID 171692078

IUPACN-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCS(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OCc3ccccc3C)cc2)on1
InChIInChI=1S/C26H24N2O4S/c1-3-33(30)25-11-7-6-10-22(25)27-26(29)23-16-24(32-28-23)19-12-14-21(15-13-19)31-17-20-9-5-4-8-18(20)2/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyAZZXEEZAJNJJCK-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.61
Rot. Bonds8

About N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide

N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 171692078) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID171692078
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCS(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OCc3ccccc3C)cc2)on1
InChIInChI=1S/C26H24N2O4S/c1-3-33(30)25-11-7-6-10-22(25)27-26(29)23-16-24(32-28-23)19-12-14-21(15-13-19)31-17-20-9-5-4-8-18(20)2/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyAZZXEEZAJNJJCK-UHFFFAOYSA-N
XLogP5.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
CID 171703762
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
5-(4-ethoxyphenyl)-N-(8-methylquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 51065688
5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
CID 166597292
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988695
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide (CID 171692078) is N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide is CCS(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OCc3ccccc3C)cc2)on1.
What is the InChIKey of N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AZZXEEZAJNJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-3-33(30)25-11-7-6-10-22(25)27-26(29)23-16-24(32-28-23)19-12-14-21(15-13-19)31-17-20-9-5-4-8-18(20)2/h4-16H,3,17H2,1-2H3,(H,27,29).
What are the key properties of N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide?
N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171692078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).