ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate

C25H24ClN3O5 — CID 18174694

IUPACethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1
InChIInChI=1S/C25H24ClN3O5/c1-3-32-24(30)23-27-14-15-29(23)25-28-22(17-10-12-18(26)13-11-17)21(34-25)9-6-16-33-20-8-5-4-7-19(20)31-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3
InChIKeyQFXYAZCPSAFKSM-UHFFFAOYSA-N
MW481.94 g/mol
LogP5.38
Rot. Bonds10

About ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate

ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate (PubChem CID 18174694) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
PubChem CID18174694
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC Nameethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1
InChIInChI=1S/C25H24ClN3O5/c1-3-32-24(30)23-27-14-15-29(23)25-28-22(17-10-12-18(26)13-11-17)21(34-25)9-6-16-33-20-8-5-4-7-19(20)31-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3
InChIKeyQFXYAZCPSAFKSM-UHFFFAOYSA-N
XLogP5.38
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.94
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate (CID 18174694) is ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate is CCOC(=O)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1.
What is the InChIKey of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?
The InChIKey is QFXYAZCPSAFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-3-32-24(30)23-27-14-15-29(23)25-28-22(17-10-12-18(26)13-11-17)21(34-25)9-6-16-33-20-8-5-4-7-19(20)31-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3.
What are the key properties of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?
ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate has a molecular weight of 481.94 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate is sourced from PubChem (CID 18174694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).