5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C19H17F2N3O3 — CID 42465328

About 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42465328) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42465328
• Molecular Formula: C19H17F2N3O3
• Molecular Weight: 373.36 g/mol
• Exact Mass: 373.12
• IUPAC Name: 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: C[C@@H](Cc1cccnc1)NC(=O)c1cc(COc2c(F)cccc2F)on1
• InChI: InChI=1S/C19H17F2N3O3/c1-12(8-13-4-3-7-22-10-13)23-19(25)17-9-14(27-24-17)11-26-18-15(20)5-2-6-16(18)21/h2-7,9-10,12H,8,11H2,1H3,(H,23,25)/t12-/m0/s1
• InChIKey: MCSXVVHJDHPIDX-LBPRGKRZSA-N
• XLogP: 3.29
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.36
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42465328) is 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is C[C@@H](Cc1cccnc1)NC(=O)c1cc(COc2c(F)cccc2F)on1.

What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is MCSXVVHJDHPIDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-12(8-13-4-3-7-22-10-13)23-19(25)17-9-14(27-24-17)11-26-18-15(20)5-2-6-16(18)21/h2-7,9-10,12H,8,11H2,1H3,(H,23,25)/t12-/m0/s1.

What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42465328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).