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

C19H16N6O4 — CID 135892051

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

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 135892051) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-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-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 135892051
• Molecular Formula: C19H16N6O4
• Molecular Weight: 392.38 g/mol
• Exact Mass: 392.12
• IUPAC Name: N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1
• InChI: InChI=1S/C19H16N6O4/c1-10-7-17(26)22-19(20-10)25-16(9-12(23-25)11-4-5-11)21-18(27)13-8-15(29-24-13)14-3-2-6-28-14/h2-3,6-9,11H,4-5H2,1H3,(H,21,27)(H,20,22,26)
• InChIKey: IPABUMVAWBDURF-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 131.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.38
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-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-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 135892051) is N-[3-cyclopropyl-1-(4-methyl-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-methyl-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-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1.

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

The InChIKey is IPABUMVAWBDURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-10-7-17(26)22-19(20-10)25-16(9-12(23-25)11-4-5-11)21-18(27)13-8-15(29-24-13)14-3-2-6-28-14/h2-3,6-9,11H,4-5H2,1H3,(H,21,27)(H,20,22,26).

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

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 2.64, 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-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135892051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).