ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate

C13H19NO4 — CID 114372044

IUPACethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
SMILESCCOCCc1nc(C2CC2)c(C(=O)OCC)o1
InChIInChI=1S/C13H19NO4/c1-3-16-8-7-10-14-11(9-5-6-9)12(18-10)13(15)17-4-2/h9H,3-8H2,1-2H3
InChIKeyWOHMWOQQPAYLDK-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.31
Rot. Bonds7

About ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate

ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114372044) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
PubChem CID114372044
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
SMILESCCOCCc1nc(C2CC2)c(C(=O)OCC)o1
InChIInChI=1S/C13H19NO4/c1-3-16-8-7-10-14-11(9-5-6-9)12(18-10)13(15)17-4-2/h9H,3-8H2,1-2H3
InChIKeyWOHMWOQQPAYLDK-UHFFFAOYSA-N
XLogP2.31
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.31
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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Related Compounds

ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274
ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372237
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
CID 114372123
ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate
CID 103213413
2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373850
ethyl 2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372042
ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103213463
ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371430
ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372053
ethyl 2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372095
ethyl 2-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372317
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
CID 103199167

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate (CID 114372044) is ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate is CCOCCc1nc(C2CC2)c(C(=O)OCC)o1.
What is the InChIKey of ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is WOHMWOQQPAYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-16-8-7-10-14-11(9-5-6-9)12(18-10)13(15)17-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate?
ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).