4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

C23H25Cl2N3O4 — CID 15941684

About 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (PubChem CID 15941684) has the molecular formula C23H25Cl2N3O4 and a molecular weight of 478.38 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
• PubChem CID: 15941684
• Molecular Formula: C23H25Cl2N3O4
• Molecular Weight: 478.38 g/mol
• Exact Mass: 477.12
• IUPAC Name: 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
• SMILES: CC1=NOC(C)(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)C1
• InChI: InChI=1S/C23H25Cl2N3O4/c1-14-10-23(2,32-28-14)13-30-20-9-15(7-8-19(20)31-16-5-3-4-6-16)22(29)27-21-17(24)11-26-12-18(21)25/h7-9,11-12,16H,3-6,10,13H2,1-2H3,(H,26,27,29)
• InChIKey: JVBBJWFIMJKRDB-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 82.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.38
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?

The IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (CID 15941684) is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.

What is the SMILES notation for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?

The canonical SMILES for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is CC1=NOC(C)(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)C1.

What is the InChIKey of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?

The InChIKey is JVBBJWFIMJKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4/c1-14-10-23(2,32-28-14)13-30-20-9-15(7-8-19(20)31-16-5-3-4-6-16)22(29)27-21-17(24)11-26-12-18(21)25/h7-9,11-12,16H,3-6,10,13H2,1-2H3,(H,26,27,29).

What are the key properties of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?

4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide has a molecular weight of 478.38 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 15941684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).