N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

C21H18N4O3S — CID 71472294

IUPACN-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1
InChIInChI=1S/C21H18N4O3S/c1-29(26,27)25-19-4-2-3-18(13-19)24-21-23-14-20(28-21)17-7-5-15(6-8-17)16-9-11-22-12-10-16/h2-14,25H,1H3,(H,23,24)
InChIKeyOQSKLQSWQMDRCZ-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71472294) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71472294
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1
InChIInChI=1S/C21H18N4O3S/c1-29(26,27)25-19-4-2-3-18(13-19)24-21-23-14-20(28-21)17-7-5-15(6-8-17)16-9-11-22-12-10-16/h2-14,25H,1H3,(H,23,24)
InChIKeyOQSKLQSWQMDRCZ-UHFFFAOYSA-N
XLogP4.52
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
CID 71472295
3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 157095147
N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329848
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
4-[2-[3-[[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]amino]anilino]-1,3-oxazol-5-yl]benzonitrile
CID 162591343
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 146018038
3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
CID 71060396
5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine
CID 23725370
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 86674186
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
CID 11572645

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 71472294) is N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1.
What is the InChIKey of N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is OQSKLQSWQMDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-29(26,27)25-19-4-2-3-18(13-19)24-21-23-14-20(28-21)17-7-5-15(6-8-17)16-9-11-22-12-10-16/h2-14,25H,1H3,(H,23,24).
What are the key properties of N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 406.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71472294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).