3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide

C20H24N6O4S — CID 50753147

IUPAC3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24N6O4S/c1-13-20(14(2)30-24-13)31(27,28)25-17-6-4-16(5-7-17)23-18-12-19(22-15(3)21-18)26-8-10-29-11-9-26/h4-7,12,25H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyWQHKNGCHIQRYNG-UHFFFAOYSA-N
MW444.52 g/mol
LogP2.77
Rot. Bonds6

About 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 50753147) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID50753147
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24N6O4S/c1-13-20(14(2)30-24-13)31(27,28)25-17-6-4-16(5-7-17)23-18-12-19(22-15(3)21-18)26-8-10-29-11-9-26/h4-7,12,25H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyWQHKNGCHIQRYNG-UHFFFAOYSA-N
XLogP2.77
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
3,5-difluoro-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297492
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzenesulfonamide
CID 46268131
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122297508
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 9116131
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide (CID 50753147) is 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide is Cc1nc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is WQHKNGCHIQRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-13-20(14(2)30-24-13)31(27,28)25-17-6-4-16(5-7-17)23-18-12-19(22-15(3)21-18)26-8-10-29-11-9-26/h4-7,12,25H,8-11H2,1-3H3,(H,21,22,23).
What are the key properties of 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 444.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 50753147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).