N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

C24H25N5O5S — CID 42276755

IUPACN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3OC)c2)c(C)o1
InChIInChI=1S/C24H25N5O5S/c1-4-35(31,32)28-19-10-6-5-9-18(19)24-27-20(16(2)34-24)14-25-23(30)17-13-26-29(15-17)21-11-7-8-12-22(21)33-3/h5-13,15,28H,4,14H2,1-3H3,(H,25,30)
InChIKeyGHBXNTRPEVHZOP-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.54
Rot. Bonds9

About N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 42276755) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID42276755
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3OC)c2)c(C)o1
InChIInChI=1S/C24H25N5O5S/c1-4-35(31,32)28-19-10-6-5-9-18(19)24-27-20(16(2)34-24)14-25-23(30)17-13-26-29(15-17)21-11-7-8-12-22(21)33-3/h5-13,15,28H,4,14H2,1-3H3,(H,25,30)
InChIKeyGHBXNTRPEVHZOP-UHFFFAOYSA-N
XLogP3.54
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 154896280
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 42276755) is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3OC)c2)c(C)o1.
What is the InChIKey of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is GHBXNTRPEVHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-4-35(31,32)28-19-10-6-5-9-18(19)24-27-20(16(2)34-24)14-25-23(30)17-13-26-29(15-17)21-11-7-8-12-22(21)33-3/h5-13,15,28H,4,14H2,1-3H3,(H,25,30).
What are the key properties of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42276755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).