5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole

C19H14Cl2N2O2 — CID 59423012

IUPAC5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole
SMILESCCN1C(=CC=Cc2nc3cc(Cl)ccc3o2)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H14Cl2N2O2/c1-2-23-15-11-13(21)7-9-17(15)25-19(23)5-3-4-18-22-14-10-12(20)6-8-16(14)24-18/h3-11H,2H2,1H3
InChIKeyMKJALXIIVNGNMR-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.91
Rot. Bonds3

About 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole

5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole (PubChem CID 59423012) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole
PubChem CID59423012
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole
SMILESCCN1C(=CC=Cc2nc3cc(Cl)ccc3o2)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H14Cl2N2O2/c1-2-23-15-11-13(21)7-9-17(15)25-19(23)5-3-4-18-22-14-10-12(20)6-8-16(14)24-18/h3-11H,2H2,1H3
InChIKeyMKJALXIIVNGNMR-UHFFFAOYSA-N
XLogP5.91
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole 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 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole (CID 59423012) is 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole is CCN1C(=CC=Cc2nc3cc(Cl)ccc3o2)Oc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole?
The InChIKey is MKJALXIIVNGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-2-23-15-11-13(21)7-9-17(15)25-19(23)5-3-4-18-22-14-10-12(20)6-8-16(14)24-18/h3-11H,2H2,1H3.
What are the key properties of 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole?
5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole has a molecular weight of 373.24 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazole is sourced from PubChem (CID 59423012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).