2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile

C16H17Cl2N3O3 — CID 167469616

IUPAC2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCOCCOCCNc1oc(-c2cc(Cl)cc(Cl)c2C)nc1C#N
InChIInChI=1S/C16H17Cl2N3O3/c1-10-12(7-11(17)8-13(10)18)15-21-14(9-19)16(24-15)20-3-4-23-6-5-22-2/h7-8,20H,3-6H2,1-2H3
InChIKeyOIOYJHIIHXUHEB-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.90
Rot. Bonds8

About 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile

2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 167469616) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile
PubChem CID167469616
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCOCCOCCNc1oc(-c2cc(Cl)cc(Cl)c2C)nc1C#N
InChIInChI=1S/C16H17Cl2N3O3/c1-10-12(7-11(17)8-13(10)18)15-21-14(9-19)16(24-15)20-3-4-23-6-5-22-2/h7-8,20H,3-6H2,1-2H3
InChIKeyOIOYJHIIHXUHEB-UHFFFAOYSA-N
XLogP3.90
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile (CID 167469616) is 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile is COCCOCCNc1oc(-c2cc(Cl)cc(Cl)c2C)nc1C#N.
What is the InChIKey of 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is OIOYJHIIHXUHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-10-12(7-11(17)8-13(10)18)15-21-14(9-19)16(24-15)20-3-4-23-6-5-22-2/h7-8,20H,3-6H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile?
2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 370.24 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 167469616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).