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

C15H23NO4 — CID 114372659

IUPACethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCOC2C)nc1CC(C)C
InChIInChI=1S/C15H23NO4/c1-5-18-15(17)13-12(8-9(2)3)16-14(20-13)11-6-7-19-10(11)4/h9-11H,5-8H2,1-4H3
InChIKeyIHXXPBXKXRGUQL-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.94
Rot. Bonds5

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

ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (PubChem CID 114372659) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
PubChem CID114372659
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCOC2C)nc1CC(C)C
InChIInChI=1S/C15H23NO4/c1-5-18-15(17)13-12(8-9(2)3)16-14(20-13)11-6-7-19-10(11)4/h9-11H,5-8H2,1-4H3
InChIKeyIHXXPBXKXRGUQL-UHFFFAOYSA-N
XLogP2.94
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372636
ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199126
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
CID 124597917
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 113459795
ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372592
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
CID 114018784
ethyl 4-(2-methylpropyl)-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372427
ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372587
ethyl 2-(2,5-dichlorothiophen-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 107967024
4-(2-methylpropyl)-2-(oxan-4-yl)-1,3-oxazole-5-carboxylic acid
CID 114374696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (CID 114372659) is ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CCOC2C)nc1CC(C)C.
What is the InChIKey of ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is IHXXPBXKXRGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-18-15(17)13-12(8-9(2)3)16-14(20-13)11-6-7-19-10(11)4/h9-11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).