N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C24H20N4O3 — CID 140881186

About N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 140881186) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• PubChem CID: 140881186
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• SMILES: O=C(Nc1ccc2oc(N3CC(c4ccccn4)C3)nc2c1)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C24H20N4O3/c29-23(16-4-6-21-15(11-16)8-10-30-21)26-18-5-7-22-20(12-18)27-24(31-22)28-13-17(14-28)19-3-1-2-9-25-19/h1-7,9,11-12,17H,8,10,13-14H2,(H,26,29)
• InChIKey: PRZJNPIOAQCMGE-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The IUPAC name of N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 140881186) is N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

What is the SMILES notation for N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The canonical SMILES for N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1ccc2oc(N3CC(c4ccccn4)C3)nc2c1)c1ccc2c(c1)CCO2.

What is the InChIKey of N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The InChIKey is PRZJNPIOAQCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-23(16-4-6-21-15(11-16)8-10-30-21)26-18-5-7-22-20(12-18)27-24(31-22)28-13-17(14-28)19-3-1-2-9-25-19/h1-7,9,11-12,17H,8,10,13-14H2,(H,26,29).

What are the key properties of N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 140881186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).