ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate

C20H23N3O3 — CID 59468703

IUPACethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C2CCC(Cn3cnc4ccccc43)CC2)n1
InChIInChI=1S/C20H23N3O3/c1-2-25-20(24)17-12-26-19(22-17)15-9-7-14(8-10-15)11-23-13-21-16-5-3-4-6-18(16)23/h3-6,12-15H,2,7-11H2,1H3
InChIKeyCQKVOVCWWKVYPP-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate (PubChem CID 59468703) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate
PubChem CID59468703
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C2CCC(Cn3cnc4ccccc43)CC2)n1
InChIInChI=1S/C20H23N3O3/c1-2-25-20(24)17-12-26-19(22-17)15-9-7-14(8-10-15)11-23-13-21-16-5-3-4-6-18(16)23/h3-6,12-15H,2,7-11H2,1H3
InChIKeyCQKVOVCWWKVYPP-UHFFFAOYSA-N
XLogP4.18
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate (CID 59468703) is ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(C2CCC(Cn3cnc4ccccc43)CC2)n1.
What is the InChIKey of ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CQKVOVCWWKVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-25-20(24)17-12-26-19(22-17)15-9-7-14(8-10-15)11-23-13-21-16-5-3-4-6-18(16)23/h3-6,12-15H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59468703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).