N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane

C19H20ClF2N5O — CID 145295765

About N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane

N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane (PubChem CID 145295765) has the molecular formula C19H20ClF2N5O and a molecular weight of 407.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane.

Molecular Properties

• Compound Name: N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
• PubChem CID: 145295765
• Molecular Formula: C19H20ClF2N5O
• Molecular Weight: 407.85 g/mol
• Exact Mass: 407.13
• IUPAC Name: N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
• SMILES: CC.FC(F)c1nnc(-c2cnc(NC3(c4cccc(Cl)c4)CCC3)nc2)o1
• InChI: InChI=1S/C17H14ClF2N5O.C2H6/c18-12-4-1-3-11(7-12)17(5-2-6-17)23-16-21-8-10(9-22-16)14-24-25-15(26-14)13(19)20;1-2/h1,3-4,7-9,13H,2,5-6H2,(H,21,22,23);1-2H3
• InChIKey: RKEQNHMFMQCZHY-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.85
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane?

The IUPAC name of N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane (CID 145295765) is N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane.

What is the SMILES notation for N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane?

The canonical SMILES for N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane is CC.FC(F)c1nnc(-c2cnc(NC3(c4cccc(Cl)c4)CCC3)nc2)o1.

What is the InChIKey of N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane?

The InChIKey is RKEQNHMFMQCZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O.C2H6/c18-12-4-1-3-11(7-12)17(5-2-6-17)23-16-21-8-10(9-22-16)14-24-25-15(26-14)13(19)20;1-2/h1,3-4,7-9,13H,2,5-6H2,(H,21,22,23);1-2H3.

What are the key properties of N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane?

N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane has a molecular weight of 407.85 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane is sourced from PubChem (CID 145295765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).