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

C22H20N4O3 — CID 42593563

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

N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42593563) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 42593563
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
• SMILES: C[C@@H](Cc1cccnc1)NC(=O)c1cc(COc2ccc3ncccc3c2)on1
• InChI: InChI=1S/C22H20N4O3/c1-15(10-16-4-2-8-23-13-16)25-22(27)21-12-19(29-26-21)14-28-18-6-7-20-17(11-18)5-3-9-24-20/h2-9,11-13,15H,10,14H2,1H3,(H,25,27)/t15-/m0/s1
• InChIKey: JXNAVNUVTBUJMC-HNNXBMFYSA-N
• XLogP: 3.56
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 42593563) is N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is C[C@@H](Cc1cccnc1)NC(=O)c1cc(COc2ccc3ncccc3c2)on1.

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

The InChIKey is JXNAVNUVTBUJMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(10-16-4-2-8-23-13-16)25-22(27)21-12-19(29-26-21)14-28-18-6-7-20-17(11-18)5-3-9-24-20/h2-9,11-13,15H,10,14H2,1H3,(H,25,27)/t15-/m0/s1.

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

N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42593563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).