6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide

C22H14F3N7O2 — CID 137249493

IUPAC6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)no1)c1cc(-c2ccncc2)ncn1
InChIInChI=1S/C22H14F3N7O2/c23-22(24,25)13-1-2-15-17(7-13)31-20(30-15)18-8-14(34-32-18)10-27-21(33)19-9-16(28-11-29-19)12-3-5-26-6-4-12/h1-9,11H,10H2,(H,27,33)(H,30,31)
InChIKeyWDCHLGAZTZAAEZ-UHFFFAOYSA-N
MW465.40 g/mol
LogP4.02
Rot. Bonds5

About 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide

6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 137249493) has the molecular formula C22H14F3N7O2 and a molecular weight of 465.40 g/mol. Its IUPAC name is 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide
PubChem CID137249493
Molecular FormulaC22H14F3N7O2
Molecular Weight465.40 g/mol
Exact Mass465.12
IUPAC Name6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)no1)c1cc(-c2ccncc2)ncn1
InChIInChI=1S/C22H14F3N7O2/c23-22(24,25)13-1-2-15-17(7-13)31-20(30-15)18-8-14(34-32-18)10-27-21(33)19-9-16(28-11-29-19)12-3-5-26-6-4-12/h1-9,11H,10H2,(H,27,33)(H,30,31)
InChIKeyWDCHLGAZTZAAEZ-UHFFFAOYSA-N
XLogP4.02
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide (CID 137249493) is 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide is O=C(NCc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)no1)c1cc(-c2ccncc2)ncn1.
What is the InChIKey of 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is WDCHLGAZTZAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N7O2/c23-22(24,25)13-1-2-15-17(7-13)31-20(30-15)18-8-14(34-32-18)10-27-21(33)19-9-16(28-11-29-19)12-3-5-26-6-4-12/h1-9,11H,10H2,(H,27,33)(H,30,31).
What are the key properties of 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide?
6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 465.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 137249493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).