N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

C21H23N3O4 — CID 67777812

About N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (PubChem CID 67777812) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
• PubChem CID: 67777812
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccc3o2)nc1
• InChI: InChI=1S/C21H23N3O4/c1-13(23-14(2)25)11-26-17-5-7-18(22-10-17)21-24-19-9-16(6-8-20(19)28-21)27-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
• InChIKey: FDTUZXVPNFVPRY-ZDUSSCGKSA-N
• XLogP: 3.58
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (CID 67777812) is N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccc3o2)nc1.

What is the InChIKey of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?

The InChIKey is FDTUZXVPNFVPRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(23-14(2)25)11-26-17-5-7-18(22-10-17)21-24-19-9-16(6-8-20(19)28-21)27-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1.

What are the key properties of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?

N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).