1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

C124H148F5N25O7 — CID 159676007

IUPAC1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.OC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1.OC[C@@H]1CCCN1Cc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/2C25H30FN5O2.2C25H30FN5O.C24H28FN5O/c26-18-10-8-17(9-11-18)24-23(22(33-30-24)15-31-14-4-7-20(31)16-32)21-12-13-27-25(29-21)28-19-5-2-1-3-6-19;26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19;2*26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20;25-18-10-8-17(9-11-18)23-22(21(31-29-23)16-30-14-4-5-15-30)20-12-13-26-24(28-20)27-19-6-2-1-3-7-19/h8-13,19-20,32H,1-7,14-16H2,(H,27,28,29);6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29);2*9-14,20H,1-8,15-17H2,(H,27,28,29);8-13,19H,1-7,14-16H2,(H,26,27,28)/t20-;;;;/m0..../s1
InChIKeyMUPIPPRKAZCICE-YAVGSXOASA-N
MW2195.71 g/mol
LogP25.89
Rot. Bonds31

About 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 159676007) has the molecular formula C124H148F5N25O7 and a molecular weight of 2195.71 g/mol. Its IUPAC name is 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID159676007
Molecular FormulaC124H148F5N25O7
Molecular Weight2195.71 g/mol
Exact Mass2194.19
IUPAC Name1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.OC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1.OC[C@@H]1CCCN1Cc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/2C25H30FN5O2.2C25H30FN5O.C24H28FN5O/c26-18-10-8-17(9-11-18)24-23(22(33-30-24)15-31-14-4-7-20(31)16-32)21-12-13-27-25(29-21)28-19-5-2-1-3-6-19;26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19;2*26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20;25-18-10-8-17(9-11-18)23-22(21(31-29-23)16-30-14-4-5-15-30)20-12-13-26-24(28-20)27-19-6-2-1-3-7-19/h8-13,19-20,32H,1-7,14-16H2,(H,27,28,29);6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29);2*9-14,20H,1-8,15-17H2,(H,27,28,29);8-13,19H,1-7,14-16H2,(H,26,27,28)/t20-;;;;/m0..../s1
InChIKeyMUPIPPRKAZCICE-YAVGSXOASA-N
XLogP25.89
TPSA375.86 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002195.71
LogP ≤ 525.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

1-[[4-[2-(2-Bicyclo[2.2.1]heptanylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 9890586
(3R)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-3-ol
CID 9981260
(3R)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-ol
CID 10048716
[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 10321579
1-[[4-[2-(Cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 10366560
4-[[4-[3-(4-Fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 10389114
1-[[3-(4-Fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 10479626
[(3R)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]methanol
CID 11754242
4-[[4-[3-(4-Fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 23435641
[1-[[4-[2-(Cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]methanol
CID 60101366
1-[[4-[2-(Cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-3-ol
CID 60101368
1-[[4-[2-[[(4R)-2-bicyclo[2.2.1]heptanyl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 60101369

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 159676007) is 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is Fc1ccc(-c2noc(CN3CCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.OC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1.OC[C@@H]1CCCN1Cc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is MUPIPPRKAZCICE-YAVGSXOASA-N. The full InChI is InChI=1S/2C25H30FN5O2.2C25H30FN5O.C24H28FN5O/c26-18-10-8-17(9-11-18)24-23(22(33-30-24)15-31-14-4-7-20(31)16-32)21-12-13-27-25(29-21)28-19-5-2-1-3-6-19;26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19;2*26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20;25-18-10-8-17(9-11-18)23-22(21(31-29-23)16-30-14-4-5-15-30)20-12-13-26-24(28-20)27-19-6-2-1-3-7-19/h8-13,19-20,32H,1-7,14-16H2,(H,27,28,29);6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29);2*9-14,20H,1-8,15-17H2,(H,27,28,29);8-13,19H,1-7,14-16H2,(H,26,27,28)/t20-;;;;/m0..../s1.
What are the key properties of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 2195.71 g/mol, XLogP of 25.89, 31 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol;[(2S)-1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]methanol;bis(N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine);N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 159676007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).