4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

C20H18F3N7O4 — CID 166221947

IUPAC4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)Nc1cn(C)nc1-c1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H17N7O2.C2HF3O2/c1-11-16(27-18(21-11)12-8-20-24(2)9-12)17(26)22-14-10-25(3)23-15(14)13-6-4-5-7-19-13;3-2(4,5)1(6)7/h4-10H,1-3H3,(H,22,26);(H,6,7)
InChIKeyHTAKAWZCEGARDR-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.06
Rot. Bonds4

About 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166221947) has the molecular formula C20H18F3N7O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166221947
Molecular FormulaC20H18F3N7O4
Molecular Weight477.40 g/mol
Exact Mass477.14
IUPAC Name4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)Nc1cn(C)nc1-c1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H17N7O2.C2HF3O2/c1-11-16(27-18(21-11)12-8-20-24(2)9-12)17(26)22-14-10-25(3)23-15(14)13-6-4-5-7-19-13;3-2(4,5)1(6)7/h4-10H,1-3H3,(H,22,26);(H,6,7)
InChIKeyHTAKAWZCEGARDR-UHFFFAOYSA-N
XLogP3.06
TPSA140.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166221947) is 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(-c2cnn(C)c2)oc1C(=O)Nc1cn(C)nc1-c1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HTAKAWZCEGARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2.C2HF3O2/c1-11-16(27-18(21-11)12-8-20-24(2)9-12)17(26)22-14-10-25(3)23-15(14)13-6-4-5-7-19-13;3-2(4,5)1(6)7/h4-10H,1-3H3,(H,22,26);(H,6,7).
What are the key properties of 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 477.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).