ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate

C15H17NO3 — CID 59823769

IUPACethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)16-13(19-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyKCCIVWPLJLWXTJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.06
Rot. Bonds4

About ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate

ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate (PubChem CID 59823769) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
PubChem CID59823769
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)16-13(19-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyKCCIVWPLJLWXTJ-UHFFFAOYSA-N
XLogP3.06
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
ethyl 4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylate;4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylic acid
CID 159865521
ethyl 3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63358352
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
CID 5019647
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
CID 139225271
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 102580283

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate (CID 59823769) is ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(Cc2ccc(C)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate?
The InChIKey is KCCIVWPLJLWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)16-13(19-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate?
ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 59823769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).