ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate

C16H17Cl2NO3 — CID 11099941

IUPACethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
SMILESCCOC(=O)CCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO3/c1-2-21-14(20)6-4-3-5-13-15(19-16(18)22-13)11-7-9-12(17)10-8-11/h7-10H,2-6H2,1H3
InChIKeyRKFXSIJTTAACDY-UHFFFAOYSA-N
MW342.22 g/mol
LogP4.92
Rot. Bonds7

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

ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate (PubChem CID 11099941) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
PubChem CID11099941
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Nameethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
SMILESCCOC(=O)CCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO3/c1-2-21-14(20)6-4-3-5-13-15(19-16(18)22-13)11-7-9-12(17)10-8-11/h7-10H,2-6H2,1H3
InChIKeyRKFXSIJTTAACDY-UHFFFAOYSA-N
XLogP4.92
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[4-(4-chlorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]pentanoate
CID 11012751
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
CID 11003753
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
ethyl 4-[4-(4-chlorophenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]butanoate
CID 10595654
3-[4-(4-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 21088725
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl 6-(2-amino-6-chloroquinazolin-4-yl)hexanoate
CID 151140102
ethyl 6-[bis(4-chlorophenyl)methylamino]hexanoate
CID 4167460

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate?
The IUPAC name of ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate (CID 11099941) is ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate.
What is the SMILES notation for ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate?
The canonical SMILES for ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate is CCOC(=O)CCCCc1oc(Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate?
The InChIKey is RKFXSIJTTAACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-2-21-14(20)6-4-3-5-13-15(19-16(18)22-13)11-7-9-12(17)10-8-11/h7-10H,2-6H2,1H3.
What are the key properties of ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate?
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate has a molecular weight of 342.22 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate is sourced from PubChem (CID 11099941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).