5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C18H12F3N7O2 — CID 146220498

IUPAC5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H12F3N7O2/c19-18(20,21)13-1-3-22-6-11(13)8-28-9-12(7-25-28)26-17(29)15-5-16(30-27-15)14-2-4-23-10-24-14/h1-7,9-10H,8H2,(H,26,29)
InChIKeyKVIOEAUYNRBING-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.04
Rot. Bonds5

About 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220498) has the molecular formula C18H12F3N7O2 and a molecular weight of 415.34 g/mol. Its IUPAC name is 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220498
Molecular FormulaC18H12F3N7O2
Molecular Weight415.34 g/mol
Exact Mass415.10
IUPAC Name5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H12F3N7O2/c19-18(20,21)13-1-3-22-6-11(13)8-28-9-12(7-25-28)26-17(29)15-5-16(30-27-15)14-2-4-23-10-24-14/h1-7,9-10H,8H2,(H,26,29)
InChIKeyKVIOEAUYNRBING-UHFFFAOYSA-N
XLogP3.04
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US10899753, Example 64
CID 151819109
US10899753, Example 76
CID 151954233
5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220493
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
CID 146220666
(S)-N-(1-(1-(2,4-bis(trifluoromethyl)phenyl)ethyl)-1H-pyrazol-4-yl)-5-(pyridin-2-yl)isoxazole-3-carboxamide
CID 146681787
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 146937157
N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 147377319
(R)-N-(1-(1-(2,4-bis(trifluoromethyl)phenyl)ethyl)-3-methyl-1H-pyrazol-4-yl)-5-(pyridin-2-yl)isoxazole-3-carboxamide
CID 148276446
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148276448
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide
CID 148351664
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148572836
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
CID 148576117

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220498) is 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccncn2)on1.
What is the InChIKey of 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KVIOEAUYNRBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O2/c19-18(20,21)13-1-3-22-6-11(13)8-28-9-12(7-25-28)26-17(29)15-5-16(30-27-15)14-2-4-23-10-24-14/h1-7,9-10H,8H2,(H,26,29).
What are the key properties of 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).