2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide

C23H21N3O3 — CID 42521796

About 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide

2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide (PubChem CID 42521796) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
• PubChem CID: 42521796
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
• SMILES: COc1cccc(-c2nc3ccc(C(=O)N[C@@H](C)Cc4cccnc4)cc3o2)c1
• InChI: InChI=1S/C23H21N3O3/c1-15(11-16-5-4-10-24-14-16)25-22(27)17-8-9-20-21(13-17)29-23(26-20)18-6-3-7-19(12-18)28-2/h3-10,12-15H,11H2,1-2H3,(H,25,27)/t15-/m0/s1
• InChIKey: CMTLJEZNWRFSIW-HNNXBMFYSA-N
• XLogP: 4.26
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide?

The IUPAC name of 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide (CID 42521796) is 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide is COc1cccc(-c2nc3ccc(C(=O)N[C@@H](C)Cc4cccnc4)cc3o2)c1.

What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide?

The InChIKey is CMTLJEZNWRFSIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(11-16-5-4-10-24-14-16)25-22(27)17-8-9-20-21(13-17)29-23(26-20)18-6-3-7-19(12-18)28-2/h3-10,12-15H,11H2,1-2H3,(H,25,27)/t15-/m0/s1.

What are the key properties of 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide?

2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42521796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).