ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate

C18H16ClNO4 — CID 13361430

IUPACethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1
InChIInChI=1S/C18H16ClNO4/c1-3-22-18(21)11(2)15-16(14-5-4-10-23-14)24-17(20-15)12-6-8-13(19)9-7-12/h4-11H,3H2,1-2H3
InChIKeyURBORXWEXSKUNB-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.92
Rot. Bonds5

About ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate

ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate (PubChem CID 13361430) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate
PubChem CID13361430
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1
InChIInChI=1S/C18H16ClNO4/c1-3-22-18(21)11(2)15-16(14-5-4-10-23-14)24-17(20-15)12-6-8-13(19)9-7-12/h4-11H,3H2,1-2H3
InChIKeyURBORXWEXSKUNB-UHFFFAOYSA-N
XLogP4.92
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate 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

ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate
CID 14091140
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553287
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 2-bromo-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate
CID 86718617
ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6404336
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 32570401
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate (CID 13361430) is ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate is CCOC(=O)C(C)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate?
The InChIKey is URBORXWEXSKUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-3-22-18(21)11(2)15-16(14-5-4-10-23-14)24-17(20-15)12-6-8-13(19)9-7-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate?
ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate has a molecular weight of 345.78 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate is sourced from PubChem (CID 13361430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).