[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate

C18H21NO4 — CID 55538994

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
SMILESCOc1ccc(-c2nc(COC(=O)C3CCCCC3)co2)cc1
InChIInChI=1S/C18H21NO4/c1-21-16-9-7-13(8-10-16)17-19-15(11-22-17)12-23-18(20)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3
InChIKeyZXZBGZHKVYYEON-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.97
Rot. Bonds5

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate (PubChem CID 55538994) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
PubChem CID55538994
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
SMILESCOc1ccc(-c2nc(COC(=O)C3CCCCC3)co2)cc1
InChIInChI=1S/C18H21NO4/c1-21-16-9-7-13(8-10-16)17-19-15(11-22-17)12-23-18(20)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3
InChIKeyZXZBGZHKVYYEON-UHFFFAOYSA-N
XLogP3.97
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate (CID 55538994) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate is COc1ccc(-c2nc(COC(=O)C3CCCCC3)co2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate?
The InChIKey is ZXZBGZHKVYYEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-16-9-7-13(8-10-16)17-19-15(11-22-17)12-23-18(20)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate is sourced from PubChem (CID 55538994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).