N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H18N6O4 — CID 135892199

About N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 135892199) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 135892199
• Molecular Formula: C20H18N6O4
• Molecular Weight: 406.40 g/mol
• Exact Mass: 406.14
• IUPAC Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)[nH]c(=O)c1C
• InChI: InChI=1S/C20H18N6O4/c1-10-11(2)21-20(23-18(10)27)26-17(9-13(24-26)12-5-6-12)22-19(28)14-8-16(30-25-14)15-4-3-7-29-15/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,28)(H,21,23,27)
• InChIKey: XFPAAAKESNYBAN-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 131.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.40
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 135892199) is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)[nH]c(=O)c1C.

What is the InChIKey of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is XFPAAAKESNYBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c1-10-11(2)21-20(23-18(10)27)26-17(9-13(24-26)12-5-6-12)22-19(28)14-8-16(30-25-14)15-4-3-7-29-15/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,28)(H,21,23,27).

What are the key properties of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135892199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).