N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide

C22H23F4N5O3 — CID 169040935

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide (PubChem CID 169040935) has the molecular formula C22H23F4N5O3 and a molecular weight of 481.45 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide
• PubChem CID: 169040935
• Molecular Formula: C22H23F4N5O3
• Molecular Weight: 481.45 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide
• SMILES: CC(CO)NCC(C)(F)C(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1
• InChI: InChI=1S/C22H23F4N5O3/c1-13(11-32)28-12-22(2,26)21(33)31(17-5-3-4-15(23)8-17)10-16-7-6-14(9-27-16)19-29-30-20(34-19)18(24)25/h3-9,13,18,28,32H,10-12H2,1-2H3
• InChIKey: VAFYEJDSRPPICG-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.45
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide (CID 169040935) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide is CC(CO)NCC(C)(F)C(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide?

The InChIKey is VAFYEJDSRPPICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O3/c1-13(11-32)28-12-22(2,26)21(33)31(17-5-3-4-15(23)8-17)10-16-7-6-14(9-27-16)19-29-30-20(34-19)18(24)25/h3-9,13,18,28,32H,10-12H2,1-2H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide has a molecular weight of 481.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide is sourced from PubChem (CID 169040935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).