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

C17H21NO3 — CID 114372587

IUPACethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccc(C)c2)nc1CC(C)C
InChIInChI=1S/C17H21NO3/c1-5-20-17(19)15-14(9-11(2)3)18-16(21-15)13-8-6-7-12(4)10-13/h6-8,10-11H,5,9H2,1-4H3
InChIKeyGUVAENLHEXHPGE-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.03
Rot. Bonds5

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

ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (PubChem CID 114372587) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
PubChem CID114372587
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccc(C)c2)nc1CC(C)C
InChIInChI=1S/C17H21NO3/c1-5-20-17(19)15-14(9-11(2)3)18-16(21-15)13-8-6-7-12(4)10-13/h6-8,10-11H,5,9H2,1-4H3
InChIKeyGUVAENLHEXHPGE-UHFFFAOYSA-N
XLogP4.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372592
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 2-(2,5-dichlorothiophen-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 107967024
ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372636
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 4-(2-methylpropyl)-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372427
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
CID 114018784
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (CID 114372587) is ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cccc(C)c2)nc1CC(C)C.
What is the InChIKey of ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is GUVAENLHEXHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-5-20-17(19)15-14(9-11(2)3)18-16(21-15)13-8-6-7-12(4)10-13/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).