ethyl 5-pentyl-1,3-oxazole-4-carboxylate

C11H17NO3 — CID 138969297

IUPACethyl 5-pentyl-1,3-oxazole-4-carboxylate
SMILESCCCCCc1ocnc1C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-5-6-7-9-10(12-8-15-9)11(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyHDFQPTBRIUSFAN-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.58
Rot. Bonds6

About ethyl 5-pentyl-1,3-oxazole-4-carboxylate

ethyl 5-pentyl-1,3-oxazole-4-carboxylate (PubChem CID 138969297) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-pentyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-pentyl-1,3-oxazole-4-carboxylate
PubChem CID138969297
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 5-pentyl-1,3-oxazole-4-carboxylate
SMILESCCCCCc1ocnc1C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-5-6-7-9-10(12-8-15-9)11(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyHDFQPTBRIUSFAN-UHFFFAOYSA-N
XLogP2.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(3,3,3-Trifluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 65354675
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-hexyloxazole-4-carboxylate
CID 13496994
Ethyl 5-cyclobutyloxazole-4-carboxylate
CID 18983302
Ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 90956075
Ethyl 5-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,3-oxazole-4-carboxylate
CID 156359980
Ethyl 5-(3,3-difluorocyclobutyl)-1,3-oxazole-4-carboxylate
CID 156359998
Ethyl 5-(1-fluorocyclopropyl)-1,3-oxazole-4-carboxylate
CID 156360306
Ethyl 5-(3-fluorobut-3-enyl)-1,3-oxazole-4-carboxylate
CID 169579010

Frequently Asked Questions

What is the IUPAC name of ethyl 5-pentyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-pentyl-1,3-oxazole-4-carboxylate (CID 138969297) is ethyl 5-pentyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-pentyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-pentyl-1,3-oxazole-4-carboxylate is CCCCCc1ocnc1C(=O)OCC.
What is the InChIKey of ethyl 5-pentyl-1,3-oxazole-4-carboxylate?
The InChIKey is HDFQPTBRIUSFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-6-7-9-10(12-8-15-9)11(13)14-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 5-pentyl-1,3-oxazole-4-carboxylate?
ethyl 5-pentyl-1,3-oxazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pentyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 138969297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).