ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate

C14H23NO4 — CID 114018784

IUPACethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCCCOCc1nc(CC(C)C)c(C(=O)OCC)o1
InChIInChI=1S/C14H23NO4/c1-5-7-17-9-12-15-11(8-10(3)4)13(19-12)14(16)18-6-2/h10H,5-9H2,1-4H3
InChIKeyFDDXBCSNUATWLS-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.98
Rot. Bonds8

About ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate

ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114018784) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID114018784
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCCCOCc1nc(CC(C)C)c(C(=O)OCC)o1
InChIInChI=1S/C14H23NO4/c1-5-7-17-9-12-15-11(8-10(3)4)13(19-12)14(16)18-6-2/h10H,5-9H2,1-4H3
InChIKeyFDDXBCSNUATWLS-UHFFFAOYSA-N
XLogP2.98
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate (CID 114018784) is ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate is CCCOCc1nc(CC(C)C)c(C(=O)OCC)o1.
What is the InChIKey of ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is FDDXBCSNUATWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-7-17-9-12-15-11(8-10(3)4)13(19-12)14(16)18-6-2/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate?
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114018784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).