cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C27H29FN6O2 — CID 57433680

IUPACcyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H29FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h6-10,13,16-17,19,21H,1-5,11-12,14-15H2,(H,29,30,31)
InChIKeyCILLERHNYDUENB-UHFFFAOYSA-N
MW488.57 g/mol
LogP5.17
Rot. Bonds5

About cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 57433680) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID57433680
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Namecyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H29FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h6-10,13,16-17,19,21H,1-5,11-12,14-15H2,(H,29,30,31)
InChIKeyCILLERHNYDUENB-UHFFFAOYSA-N
XLogP5.17
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 57433680) is cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is CILLERHNYDUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h6-10,13,16-17,19,21H,1-5,11-12,14-15H2,(H,29,30,31).
What are the key properties of cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 488.57 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 57433680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).