2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C24H20F3N7O2 — CID 46833512

IUPAC2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccn3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)20-19(32-22(36-20)16-5-2-1-3-6-16)21(35)31-17-7-8-18(30-15-17)33-11-13-34(14-12-33)23-28-9-4-10-29-23/h1-10,15H,11-14H2,(H,31,35)
InChIKeyFUYFSLADZIFBCQ-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.12
Rot. Bonds5

About 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46833512) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID46833512
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccn3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)20-19(32-22(36-20)16-5-2-1-3-6-16)21(35)31-17-7-8-18(30-15-17)33-11-13-34(14-12-33)23-28-9-4-10-29-23/h1-10,15H,11-14H2,(H,31,35)
InChIKeyFUYFSLADZIFBCQ-UHFFFAOYSA-N
XLogP4.12
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 16757107
CID 16757107
CID 44528432
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CID 16069007
CID 16069007
CID 16112851
CID 16112851
CID 16757011
CID 16757011
CID 16757014
CID 16757014
CID 16757105
CID 16757105
CID 16757106
CID 16757106
CID 16757108
CID 16757108
CID 52936727
CID 52936727
CID 52936729
CID 52936729
CID 52936730
CID 52936730

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 46833512) is 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCN(c3ncccn3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FUYFSLADZIFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c25-24(26,27)20-19(32-22(36-20)16-5-2-1-3-6-16)21(35)31-17-7-8-18(30-15-17)33-11-13-34(14-12-33)23-28-9-4-10-29-23/h1-10,15H,11-14H2,(H,31,35).
What are the key properties of 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46833512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).