(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine

C17H13ClN2O2 — CID 9353710

IUPAC(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
SMILESClc1ccc(-c2cnc(CO/N=C\c3ccccc3)o2)cc1
InChIInChI=1S/C17H13ClN2O2/c18-15-8-6-14(7-9-15)16-11-19-17(22-16)12-21-20-10-13-4-2-1-3-5-13/h1-11H,12H2/b20-10-
InChIKeyVJZPDYUDAQHGBO-JMIUGGIZSA-N
MW312.76 g/mol
LogP4.55
Rot. Bonds5

About (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine

(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine (PubChem CID 9353710) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
PubChem CID9353710
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
SMILESClc1ccc(-c2cnc(CO/N=C\c3ccccc3)o2)cc1
InChIInChI=1S/C17H13ClN2O2/c18-15-8-6-14(7-9-15)16-11-19-17(22-16)12-21-20-10-13-4-2-1-3-5-13/h1-11H,12H2/b20-10-
InChIKeyVJZPDYUDAQHGBO-JMIUGGIZSA-N
XLogP4.55
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine 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 (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine?
The IUPAC name of (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine (CID 9353710) is (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine is Clc1ccc(-c2cnc(CO/N=C\c3ccccc3)o2)cc1.
What is the InChIKey of (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine?
The InChIKey is VJZPDYUDAQHGBO-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-15-8-6-14(7-9-15)16-11-19-17(22-16)12-21-20-10-13-4-2-1-3-5-13/h1-11H,12H2/b20-10-.
What are the key properties of (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine?
(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine has a molecular weight of 312.76 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine is sourced from PubChem (CID 9353710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).