(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide

C20H15Cl2N3O5S — CID 141378389

About (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide (PubChem CID 141378389) has the molecular formula C20H15Cl2N3O5S and a molecular weight of 480.33 g/mol. Its IUPAC name is (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide
• PubChem CID: 141378389
• Molecular Formula: C20H15Cl2N3O5S
• Molecular Weight: 480.33 g/mol
• Exact Mass: 479.01
• IUPAC Name: (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide
• SMILES: C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)NOCc1cnc(Cl)s1
• InChI: InChI=1S/C20H15Cl2N3O5S/c1-11(18(26)25-27-10-15-9-23-19(22)31-15)28-13-3-5-14(6-4-13)29-20-24-16-7-2-12(21)8-17(16)30-20/h2-9,11H,10H2,1H3,(H,25,26)/t11-/m1/s1
• InChIKey: MOZIKPGUKOWMHE-LLVKDONJSA-N
• XLogP: 5.40
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.33
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide?

The IUPAC name of (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide (CID 141378389) is (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide.

What is the SMILES notation for (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide?

The canonical SMILES for (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide is C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)NOCc1cnc(Cl)s1.

What is the InChIKey of (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide?

The InChIKey is MOZIKPGUKOWMHE-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15Cl2N3O5S/c1-11(18(26)25-27-10-15-9-23-19(22)31-15)28-13-3-5-14(6-4-13)29-20-24-16-7-2-12(21)8-17(16)30-20/h2-9,11H,10H2,1H3,(H,25,26)/t11-/m1/s1.

What are the key properties of (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide?

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide has a molecular weight of 480.33 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]propanamide is sourced from PubChem (CID 141378389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).