N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C21H18F4N2O3 — CID 32597256

About N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 32597256) has the molecular formula C21H18F4N2O3 and a molecular weight of 422.38 g/mol. Its IUPAC name is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 32597256
• Molecular Formula: C21H18F4N2O3
• Molecular Weight: 422.38 g/mol
• Exact Mass: 422.13
• IUPAC Name: N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F
• InChI: InChI=1S/C21H18F4N2O3/c1-12(13-5-2-3-8-16(13)30-21(24)25)27-18(28)9-10-19-26-11-17(29-19)20-14(22)6-4-7-15(20)23/h2-8,11-12,21H,9-10H2,1H3,(H,27,28)/t12-/m1/s1
• InChIKey: JIXWNYGFAAWQKT-GFCCVEGCSA-N
• XLogP: 5.03
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.38
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 32597256) is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F.

What is the InChIKey of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is JIXWNYGFAAWQKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18F4N2O3/c1-12(13-5-2-3-8-16(13)30-21(24)25)27-18(28)9-10-19-26-11-17(29-19)20-14(22)6-4-7-15(20)23/h2-8,11-12,21H,9-10H2,1H3,(H,27,28)/t12-/m1/s1.

What are the key properties of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 422.38 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 32597256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).