1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

C18H15Cl2N3O3 — CID 22279640

About 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 22279640) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
• PubChem CID: 22279640
• Molecular Formula: C18H15Cl2N3O3
• Molecular Weight: 392.24 g/mol
• Exact Mass: 391.05
• IUPAC Name: 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
• SMILES: Cc1noc(-c2ccc(Cl)nc2)c1NC(=O)OC(C)c1ccccc1Cl
• InChI: InChI=1S/C18H15Cl2N3O3/c1-10-16(17(26-23-10)12-7-8-15(20)21-9-12)22-18(24)25-11(2)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,22,24)
• InChIKey: NEGOPZCZFKDCHE-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.24
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?

The IUPAC name of 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 22279640) is 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

What is the SMILES notation for 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?

The canonical SMILES for 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccc(Cl)nc2)c1NC(=O)OC(C)c1ccccc1Cl.

What is the InChIKey of 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?

The InChIKey is NEGOPZCZFKDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-10-16(17(26-23-10)12-7-8-15(20)21-9-12)22-18(24)25-11(2)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,22,24).

What are the key properties of 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?

1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 392.24 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 22279640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).