5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine

C19H20ClN5O3S — CID 110253191

IUPAC5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1c1nc(N)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O3S/c1-11-18(12(2)28-24-11)29(26,27)25-9-3-4-16(25)17-15(10-22-19(21)23-17)13-5-7-14(20)8-6-13/h5-8,10,16H,3-4,9H2,1-2H3,(H2,21,22,23)
InChIKeyZLRMUJLSDRXUNU-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.51
Rot. Bonds4

About 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine

5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 110253191) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID110253191
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1c1nc(N)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O3S/c1-11-18(12(2)28-24-11)29(26,27)25-9-3-4-16(25)17-15(10-22-19(21)23-17)13-5-7-14(20)8-6-13/h5-8,10,16H,3-4,9H2,1-2H3,(H2,21,22,23)
InChIKeyZLRMUJLSDRXUNU-UHFFFAOYSA-N
XLogP3.51
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
CID 95814992
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110253109
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95815151
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95837184
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
1-[(2R)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 95837164
3,5-dimethyl-4-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94638176
1-[2-[2-amino-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 110253190

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine (CID 110253191) is 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine is Cc1noc(C)c1S(=O)(=O)N1CCCC1c1nc(N)ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is ZLRMUJLSDRXUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-11-18(12(2)28-24-11)29(26,27)25-9-3-4-16(25)17-15(10-22-19(21)23-17)13-5-7-14(20)8-6-13/h5-8,10,16H,3-4,9H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine?
5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 433.92 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110253191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).