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

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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).