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

C14H21NO3 — CID 114372274

IUPACethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)(C)CC)nc1C1CC1
InChIInChI=1S/C14H21NO3/c1-5-14(3,4)13-15-10(9-7-8-9)11(18-13)12(16)17-6-2/h9H,5-8H2,1-4H3
InChIKeyUGTKHNSNOBSRRG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.42
Rot. Bonds5

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

ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate (PubChem CID 114372274) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
PubChem CID114372274
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)(C)CC)nc1C1CC1
InChIInChI=1S/C14H21NO3/c1-5-14(3,4)13-15-10(9-7-8-9)11(18-13)12(16)17-6-2/h9H,5-8H2,1-4H3
InChIKeyUGTKHNSNOBSRRG-UHFFFAOYSA-N
XLogP3.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
CID 114372044
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-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372042
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-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxylate
CID 169163245
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
ethyl 2-tert-butyl-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371351
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate (CID 114372274) is ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C(C)(C)CC)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is UGTKHNSNOBSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-14(3,4)13-15-10(9-7-8-9)11(18-13)12(16)17-6-2/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).