N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C22H17Cl2N3O4 — CID 55727578

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 55727578) has the molecular formula C22H17Cl2N3O4 and a molecular weight of 458.30 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
• PubChem CID: 55727578
• Molecular Formula: C22H17Cl2N3O4
• Molecular Weight: 458.30 g/mol
• Exact Mass: 457.06
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
• SMILES: O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C22H17Cl2N3O4/c23-14-12-15(24)21(25-13-14)30-18-8-3-1-6-16(18)26-20(28)10-5-11-27-17-7-2-4-9-19(17)31-22(27)29/h1-4,6-9,12-13H,5,10-11H2,(H,26,28)
• InChIKey: KXZRWEAGLQXBNH-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 86.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.30
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 55727578) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ncc(Cl)cc1Cl.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The InChIKey is KXZRWEAGLQXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O4/c23-14-12-15(24)21(25-13-14)30-18-8-3-1-6-16(18)26-20(28)10-5-11-27-17-7-2-4-9-19(17)31-22(27)29/h1-4,6-9,12-13H,5,10-11H2,(H,26,28).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 458.30 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 55727578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).