N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide

C24H16F5N5O2 — CID 135321049

About N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide

N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide (PubChem CID 135321049) has the molecular formula C24H16F5N5O2 and a molecular weight of 501.42 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide
• PubChem CID: 135321049
• Molecular Formula: C24H16F5N5O2
• Molecular Weight: 501.42 g/mol
• Exact Mass: 501.12
• IUPAC Name: N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide
• SMILES: O=C(C(F)F)N(c1ncc(-c2nnc(C(F)F)o2)cn1)C1(c2cccc(-c3ccc(F)cc3)c2)CC1
• InChI: InChI=1S/C24H16F5N5O2/c25-17-6-4-13(5-7-17)14-2-1-3-16(10-14)24(8-9-24)34(22(35)19(28)29)23-30-11-15(12-31-23)20-32-33-21(36-20)18(26)27/h1-7,10-12,18-19H,8-9H2
• InChIKey: ADKHSSKTFXCZJW-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.42
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide?

The IUPAC name of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide (CID 135321049) is N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide.

What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide?

The canonical SMILES for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide is O=C(C(F)F)N(c1ncc(-c2nnc(C(F)F)o2)cn1)C1(c2cccc(-c3ccc(F)cc3)c2)CC1.

What is the InChIKey of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide?

The InChIKey is ADKHSSKTFXCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N5O2/c25-17-6-4-13(5-7-17)14-2-1-3-16(10-14)24(8-9-24)34(22(35)19(28)29)23-30-11-15(12-31-23)20-32-33-21(36-20)18(26)27/h1-7,10-12,18-19H,8-9H2.

What are the key properties of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide?

N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide has a molecular weight of 501.42 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2,2-difluoro-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 135321049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).