3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide

C17H22N6O2 — CID 46968910

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCn2nc(C)c(C)c2C)on1
InChIInChI=1S/C17H22N6O2/c1-10-11(2)20-23(13(10)4)7-6-18-17(24)16-8-15(21-25-16)14-9-22(5)19-12(14)3/h8-9H,6-7H2,1-5H3,(H,18,24)
InChIKeyTWINIVXIWIENEF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide

3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 46968910) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID46968910
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCn2nc(C)c(C)c2C)on1
InChIInChI=1S/C17H22N6O2/c1-10-11(2)20-23(13(10)4)7-6-18-17(24)16-8-15(21-25-16)14-9-22(5)19-12(14)3/h8-9H,6-7H2,1-5H3,(H,18,24)
InChIKeyTWINIVXIWIENEF-UHFFFAOYSA-N
XLogP1.94
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 46968910) is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCCn2nc(C)c(C)c2C)on1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TWINIVXIWIENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-11(2)20-23(13(10)4)7-6-18-17(24)16-8-15(21-25-16)14-9-22(5)19-12(14)3/h8-9H,6-7H2,1-5H3,(H,18,24).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46968910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).