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

C15H19NO4 — CID 114372592

IUPACethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2occc2C)nc1CC(C)C
InChIInChI=1S/C15H19NO4/c1-5-18-15(17)13-11(8-9(2)3)16-14(20-13)12-10(4)6-7-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyCMKKOHBPMVHWNI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.62
Rot. Bonds5

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

ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (PubChem CID 114372592) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
PubChem CID114372592
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2occc2C)nc1CC(C)C
InChIInChI=1S/C15H19NO4/c1-5-18-15(17)13-11(8-9(2)3)16-14(20-13)12-10(4)6-7-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyCMKKOHBPMVHWNI-UHFFFAOYSA-N
XLogP3.62
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
CID 114018784
ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372636
ethyl 4-(2-methylpropyl)-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372427
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629
2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374677
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232
ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372659
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (CID 114372592) is ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2occc2C)nc1CC(C)C.
What is the InChIKey of ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is CMKKOHBPMVHWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-5-18-15(17)13-11(8-9(2)3)16-14(20-13)12-10(4)6-7-19-12/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).