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

C18H21NO4 — CID 55538335

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
SMILESCOc1ccc(-c2nc(COC(=O)CC3CCCC3)co2)cc1
InChIInChI=1S/C18H21NO4/c1-21-16-8-6-14(7-9-16)18-19-15(12-23-18)11-22-17(20)10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyADUFDPCDBXIUJZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.97
Rot. Bonds6

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

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate (PubChem CID 55538335) 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 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
PubChem CID55538335
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
SMILESCOc1ccc(-c2nc(COC(=O)CC3CCCC3)co2)cc1
InChIInChI=1S/C18H21NO4/c1-21-16-8-6-14(7-9-16)18-19-15(12-23-18)11-22-17(20)10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyADUFDPCDBXIUJZ-UHFFFAOYSA-N
XLogP3.97
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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 2-cyclopentylacetate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate (CID 55538335) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate is COc1ccc(-c2nc(COC(=O)CC3CCCC3)co2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate?
The InChIKey is ADUFDPCDBXIUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-16-8-6-14(7-9-16)18-19-15(12-23-18)11-22-17(20)10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate has a molecular weight of 315.37 g/mol, XLogP of 3.97, 6 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 2-cyclopentylacetate is sourced from PubChem (CID 55538335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).