4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol

C16H10BrClN2O2 — CID 5201918

IUPAC4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccccc1Br
InChIInChI=1S/C16H10BrClN2O2/c17-12-3-1-2-4-13(12)19-9-14-16(21)22-15(20-14)10-5-7-11(18)8-6-10/h1-9,21H/b19-9+
InChIKeySMMCCUOWDGSOEM-DJKKODMXSA-N
MW377.63 g/mol
LogP5.21
Rot. Bonds3

About 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol

4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol (PubChem CID 5201918) has the molecular formula C16H10BrClN2O2 and a molecular weight of 377.63 g/mol. Its IUPAC name is 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
PubChem CID5201918
Molecular FormulaC16H10BrClN2O2
Molecular Weight377.63 g/mol
Exact Mass375.96
IUPAC Name4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccccc1Br
InChIInChI=1S/C16H10BrClN2O2/c17-12-3-1-2-4-13(12)19-9-14-16(21)22-15(20-14)10-5-7-11(18)8-6-10/h1-9,21H/b19-9+
InChIKeySMMCCUOWDGSOEM-DJKKODMXSA-N
XLogP5.21
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol (CID 5201918) is 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol?
The InChIKey is SMMCCUOWDGSOEM-DJKKODMXSA-N. The full InChI is InChI=1S/C16H10BrClN2O2/c17-12-3-1-2-4-13(12)19-9-14-16(21)22-15(20-14)10-5-7-11(18)8-6-10/h1-9,21H/b19-9+.
What are the key properties of 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol?
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol has a molecular weight of 377.63 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5201918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).