5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide

C16H16N6O2 — CID 72717805

IUPAC5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)c3cc(C4CC4)on3)ncn2)n1
InChIInChI=1S/C16H16N6O2/c1-9-5-10(2)22(20-9)15-7-14(17-8-18-15)19-16(23)12-6-13(24-21-12)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,17,18,19,23)
InChIKeyFSDSNLGXBAMTHA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.40
Rot. Bonds4

About 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 72717805) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID72717805
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)c3cc(C4CC4)on3)ncn2)n1
InChIInChI=1S/C16H16N6O2/c1-9-5-10(2)22(20-9)15-7-14(17-8-18-15)19-16(23)12-6-13(24-21-12)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,17,18,19,23)
InChIKeyFSDSNLGXBAMTHA-UHFFFAOYSA-N
XLogP2.40
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide (CID 72717805) is 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C)n(-c2cc(NC(=O)c3cc(C4CC4)on3)ncn2)n1.
What is the InChIKey of 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FSDSNLGXBAMTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9-5-10(2)22(20-9)15-7-14(17-8-18-15)19-16(23)12-6-13(24-21-12)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,17,18,19,23).
What are the key properties of 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72717805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).