[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate

C17H12ClNO3S — CID 8568341

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClNO3S/c18-14-4-2-13(3-5-14)15-9-19-16(22-15)10-21-17(20)6-1-12-7-8-23-11-12/h1-9,11H,10H2/b6-1+
InChIKeyPACBZEUJSBGBNM-LZCJLJQNSA-N
MW345.81 g/mol
LogP4.81
Rot. Bonds5

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 8568341) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID8568341
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClNO3S/c18-14-4-2-13(3-5-14)15-9-19-16(22-15)10-21-17(20)6-1-12-7-8-23-11-12/h1-9,11H,10H2/b6-1+
InChIKeyPACBZEUJSBGBNM-LZCJLJQNSA-N
XLogP4.81
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 30928179
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823
(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate
CID 71953934
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712560
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
CID 71899790
ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
CID 140643650
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 36835094
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
CID 41480013
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate (CID 8568341) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate is O=C(/C=C/c1ccsc1)OCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is PACBZEUJSBGBNM-LZCJLJQNSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c18-14-4-2-13(3-5-14)15-9-19-16(22-15)10-21-17(20)6-1-12-7-8-23-11-12/h1-9,11H,10H2/b6-1+.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 345.81 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 8568341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).