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

C17H16ClN3O3 — CID 10991589

IUPACethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate
SMILESCCOC(=O)CCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-2-23-15(22)8-7-14-16(12-3-5-13(18)6-4-12)20-17(24-14)21-10-9-19-11-21/h3-6,9-11H,2,7-8H2,1H3
InChIKeyQULKVBVMVCMYFZ-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.68
Rot. Bonds6

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

ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate (PubChem CID 10991589) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate
PubChem CID10991589
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Nameethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate
SMILESCCOC(=O)CCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-2-23-15(22)8-7-14-16(12-3-5-13(18)6-4-12)20-17(24-14)21-10-9-19-11-21/h3-6,9-11H,2,7-8H2,1H3
InChIKeyQULKVBVMVCMYFZ-UHFFFAOYSA-N
XLogP3.68
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate (CID 10991589) is ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate is CCOC(=O)CCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate?
The InChIKey is QULKVBVMVCMYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-2-23-15(22)8-7-14-16(12-3-5-13(18)6-4-12)20-17(24-14)21-10-9-19-11-21/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate?
ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate has a molecular weight of 345.79 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 10991589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).