3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide

C17H20N6O2 — CID 71805393

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCc3c(C)noc3C)ncn2)n1
InChIInChI=1S/C17H20N6O2/c1-10-7-11(2)23(21-10)16-8-15(18-9-19-16)20-17(24)6-5-14-12(3)22-25-13(14)4/h7-9H,5-6H2,1-4H3,(H,18,19,20,24)
InChIKeyJOYQCAAKYGHAHZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.46
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide (PubChem CID 71805393) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide
PubChem CID71805393
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCc3c(C)noc3C)ncn2)n1
InChIInChI=1S/C17H20N6O2/c1-10-7-11(2)23(21-10)16-8-15(18-9-19-16)20-17(24)6-5-14-12(3)22-25-13(14)4/h7-9H,5-6H2,1-4H3,(H,18,19,20,24)
InChIKeyJOYQCAAKYGHAHZ-UHFFFAOYSA-N
XLogP2.46
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide (CID 71805393) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide is Cc1cc(C)n(-c2cc(NC(=O)CCc3c(C)noc3C)ncn2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide?
The InChIKey is JOYQCAAKYGHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-7-11(2)23(21-10)16-8-15(18-9-19-16)20-17(24)6-5-14-12(3)22-25-13(14)4/h7-9H,5-6H2,1-4H3,(H,18,19,20,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide has a molecular weight of 340.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71805393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).