4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole

C25H22ClNO2 — CID 141296073

IUPAC4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CCOCc1ccccc1Cl
InChIInChI=1S/C25H22ClNO2/c1-18-23(15-16-28-17-22-9-5-6-10-24(22)26)25(29-27-18)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-17H2,1H3
InChIKeyMFKCJVIZDJDOIJ-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.73
Rot. Bonds7

About 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole

4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole (PubChem CID 141296073) has the molecular formula C25H22ClNO2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
PubChem CID141296073
Molecular FormulaC25H22ClNO2
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CCOCc1ccccc1Cl
InChIInChI=1S/C25H22ClNO2/c1-18-23(15-16-28-17-22-9-5-6-10-24(22)26)25(29-27-18)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-17H2,1H3
InChIKeyMFKCJVIZDJDOIJ-UHFFFAOYSA-N
XLogP6.73
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The IUPAC name of 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole (CID 141296073) is 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CCOCc1ccccc1Cl.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The InChIKey is MFKCJVIZDJDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO2/c1-18-23(15-16-28-17-22-9-5-6-10-24(22)26)25(29-27-18)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-17H2,1H3.
What are the key properties of 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole has a molecular weight of 403.91 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole is sourced from PubChem (CID 141296073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).