(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one

C19H15ClN2O2S — CID 16762402

IUPAC(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one
SMILESCCN1/C(=C2\C(=O)ON=C2Cc2ccccc2)Sc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O2S/c1-2-22-15-11-13(20)8-9-16(15)25-18(22)17-14(21-24-19(17)23)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b18-17+
InChIKeyCLCPZDNZTACDMM-ISLYRVAYSA-N
MW370.86 g/mol
LogP4.64
Rot. Bonds3

About (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one

(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one (PubChem CID 16762402) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one
PubChem CID16762402
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one
SMILESCCN1/C(=C2\C(=O)ON=C2Cc2ccccc2)Sc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O2S/c1-2-22-15-11-13(20)8-9-16(15)25-18(22)17-14(21-24-19(17)23)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b18-17+
InChIKeyCLCPZDNZTACDMM-ISLYRVAYSA-N
XLogP4.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one 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 (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one?
The IUPAC name of (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one (CID 16762402) is (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one?
The canonical SMILES for (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one is CCN1/C(=C2\C(=O)ON=C2Cc2ccccc2)Sc2ccc(Cl)cc21.
What is the InChIKey of (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one?
The InChIKey is CLCPZDNZTACDMM-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-2-22-15-11-13(20)8-9-16(15)25-18(22)17-14(21-24-19(17)23)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b18-17+.
What are the key properties of (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one?
(4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one has a molecular weight of 370.86 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-benzyl-4-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazol-5-one is sourced from PubChem (CID 16762402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).