5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C17H10ClF2N5O2 — CID 71620793

About 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 71620793) has the molecular formula C17H10ClF2N5O2 and a molecular weight of 389.75 g/mol. Its IUPAC name is 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
• PubChem CID: 71620793
• Molecular Formula: C17H10ClF2N5O2
• Molecular Weight: 389.75 g/mol
• Exact Mass: 389.05
• IUPAC Name: 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
• SMILES: O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1Cl
• InChI: InChI=1S/C17H10ClF2N5O2/c18-10-7-21-16(22-17(10)26)13-6-14(12-4-5-27-24-12)25(23-13)8-9-2-1-3-11(19)15(9)20/h1-7H,8H2,(H,21,22,26)
• InChIKey: AKAOABYVKWOOQM-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.75
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

The IUPAC name of 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 71620793) is 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

What is the SMILES notation for 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

The canonical SMILES for 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1Cl.

What is the InChIKey of 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

The InChIKey is AKAOABYVKWOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N5O2/c18-10-7-21-16(22-17(10)26)13-6-14(12-4-5-27-24-12)25(23-13)8-9-2-1-3-11(19)15(9)20/h1-7H,8H2,(H,21,22,26).

What are the key properties of 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 389.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).