ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate

C24H22N6O5 — CID 162665158

IUPACethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1
InChIInChI=1S/C24H22N6O5/c1-2-33-23(32)21-19(20(29-35-21)15-6-4-3-5-7-15)18-8-10-25-24(28-18)27-17-9-11-30(13-17)22(31)16-12-26-34-14-16/h3-8,10,12,14,17H,2,9,11,13H2,1H3,(H,25,27,28)/t17-/m1/s1
InChIKeyRSOZUNQAYXMQSH-QGZVFWFLSA-N
MW474.48 g/mol
LogP3.29
Rot. Bonds7

About ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate

ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate (PubChem CID 162665158) has the molecular formula C24H22N6O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate
PubChem CID162665158
Molecular FormulaC24H22N6O5
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC Nameethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1
InChIInChI=1S/C24H22N6O5/c1-2-33-23(32)21-19(20(29-35-21)15-6-4-3-5-7-15)18-8-10-25-24(28-18)27-17-9-11-30(13-17)22(31)16-12-26-34-14-16/h3-8,10,12,14,17H,2,9,11,13H2,1H3,(H,25,27,28)/t17-/m1/s1
InChIKeyRSOZUNQAYXMQSH-QGZVFWFLSA-N
XLogP3.29
TPSA136.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

[(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
(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 154929808
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 23435663
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135
ethyl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate
CID 42743415
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
4-[3-(3-chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]-N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 162652345
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944
ethyl 2-methyl-4-[3-methyl-4-(4-phenylbenzoyl)piperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate
CID 42743382

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate?
The IUPAC name of 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) is ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate is CCOC(=O)c1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cnoc3)C2)n1.
What is the InChIKey of ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate?
The InChIKey is RSOZUNQAYXMQSH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N6O5/c1-2-33-23(32)21-19(20(29-35-21)15-6-4-3-5-7-15)18-8-10-25-24(28-18)27-17-9-11-30(13-17)22(31)16-12-26-34-14-16/h3-8,10,12,14,17H,2,9,11,13H2,1H3,(H,25,27,28)/t17-/m1/s1.
What are the key properties of ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate?
ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate has a molecular weight of 474.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 162665158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).