ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

C19H25NO5 — CID 118336683

IUPACethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCCCOc1ccc(-c2nc(C(=O)OCC)co2)cc1OC(C)C
InChIInChI=1S/C19H25NO5/c1-5-7-10-23-16-9-8-14(11-17(16)25-13(3)4)18-20-15(12-24-18)19(21)22-6-2/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyKJSHKRDMMAKXGO-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.48
Rot. Bonds9

About ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 118336683) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID118336683
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCCCOc1ccc(-c2nc(C(=O)OCC)co2)cc1OC(C)C
InChIInChI=1S/C19H25NO5/c1-5-7-10-23-16-9-8-14(11-17(16)25-13(3)4)18-20-15(12-24-18)19(21)22-6-2/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyKJSHKRDMMAKXGO-UHFFFAOYSA-N
XLogP4.48
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (CID 118336683) is ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is CCCCOc1ccc(-c2nc(C(=O)OCC)co2)cc1OC(C)C.
What is the InChIKey of ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is KJSHKRDMMAKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-5-7-10-23-16-9-8-14(11-17(16)25-13(3)4)18-20-15(12-24-18)19(21)22-6-2/h8-9,11-13H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 118336683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).