2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol

C18H15ClN2O3 — CID 4102719

IUPAC2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(C/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-8-2-12(3-9-15)10-20-11-16-18(22)24-17(21-16)13-4-6-14(19)7-5-13/h2-9,11,22H,10H2,1H3/b20-11+
InChIKeyIVKASYOREVNIIQ-RGVLZGJSSA-N
MW342.78 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol

2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol (PubChem CID 4102719) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
PubChem CID4102719
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(C/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-8-2-12(3-9-15)10-20-11-16-18(22)24-17(21-16)13-4-6-14(19)7-5-13/h2-9,11,22H,10H2,1H3/b20-11+
InChIKeyIVKASYOREVNIIQ-RGVLZGJSSA-N
XLogP4.33
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol (CID 4102719) is 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol is COc1ccc(C/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol?
The InChIKey is IVKASYOREVNIIQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-8-2-12(3-9-15)10-20-11-16-18(22)24-17(21-16)13-4-6-14(19)7-5-13/h2-9,11,22H,10H2,1H3/b20-11+.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol?
2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol has a molecular weight of 342.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 4102719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).