[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

C22H19ClN6O3 — CID 162649628

IUPAC[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1
InChIInChI=1S/C22H19ClN6O3/c1-13-19(20(28-32-13)16-4-2-3-5-17(16)23)18-6-8-24-22(27-18)26-15-7-9-29(11-15)21(30)14-10-25-31-12-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,24,26,27)/t15-/m1/s1
InChIKeyWPGKSWLHWCVRPX-OAHLLOKOSA-N
MW450.89 g/mol
LogP4.08
Rot. Bonds5

About [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 162649628) has the molecular formula C22H19ClN6O3 and a molecular weight of 450.89 g/mol. Its IUPAC name is [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
PubChem CID162649628
Molecular FormulaC22H19ClN6O3
Molecular Weight450.89 g/mol
Exact Mass450.12
IUPAC Name[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1
InChIInChI=1S/C22H19ClN6O3/c1-13-19(20(28-32-13)16-4-2-3-5-17(16)23)18-6-8-24-22(27-18)26-15-7-9-29(11-15)21(30)14-10-25-31-12-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,24,26,27)/t15-/m1/s1
InChIKeyWPGKSWLHWCVRPX-OAHLLOKOSA-N
XLogP4.08
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate
CID 162665158
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187368
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 154929808
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 90521451
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 78815860
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886891
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344317

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (CID 162649628) is [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2Cl)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1.
What is the InChIKey of [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The InChIKey is WPGKSWLHWCVRPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19ClN6O3/c1-13-19(20(28-32-13)16-4-2-3-5-17(16)23)18-6-8-24-22(27-18)26-15-7-9-29(11-15)21(30)14-10-25-31-12-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,24,26,27)/t15-/m1/s1.
What are the key properties of [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?
[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 450.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 162649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).