4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C28H23F4N7O2 — CID 57433685

IUPAC4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C28H23F4N7O2/c29-19-5-1-17(2-6-19)23-24(39-15-16-41-27(39)37-23)22-9-12-33-25(36-22)34-21-10-13-38(14-11-21)26(40)35-20-7-3-18(4-8-20)28(30,31)32/h1-9,12,15-16,21H,10-11,13-14H2,(H,35,40)(H,33,34,36)
InChIKeyZDESVWXGUWJXEV-UHFFFAOYSA-N
MW565.53 g/mol
LogP6.32
Rot. Bonds5

About 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 57433685) has the molecular formula C28H23F4N7O2 and a molecular weight of 565.53 g/mol. Its IUPAC name is 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID57433685
Molecular FormulaC28H23F4N7O2
Molecular Weight565.53 g/mol
Exact Mass565.18
IUPAC Name4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C28H23F4N7O2/c29-19-5-1-17(2-6-19)23-24(39-15-16-41-27(39)37-23)22-9-12-33-25(36-22)34-21-10-13-38(14-11-21)26(40)35-20-7-3-18(4-8-20)28(30,31)32/h1-9,12,15-16,21H,10-11,13-14H2,(H,35,40)(H,33,34,36)
InChIKeyZDESVWXGUWJXEV-UHFFFAOYSA-N
XLogP6.32
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.53
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 57433685) is 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ZDESVWXGUWJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4N7O2/c29-19-5-1-17(2-6-19)23-24(39-15-16-41-27(39)37-23)22-9-12-33-25(36-22)34-21-10-13-38(14-11-21)26(40)35-20-7-3-18(4-8-20)28(30,31)32/h1-9,12,15-16,21H,10-11,13-14H2,(H,35,40)(H,33,34,36).
What are the key properties of 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 565.53 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 57433685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).