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

C15H17NO3 — CID 101389640

IUPACethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1Cc1ccc(C)cc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-13(19-11(3)16-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyJQGZBBATMWAGPD-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.06
Rot. Bonds4

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

ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 101389640) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
PubChem CID101389640
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1Cc1ccc(C)cc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-13(19-11(3)16-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyJQGZBBATMWAGPD-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 3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63358352
ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
CID 59823769
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 146591456
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139763006
ethyl 1-[(4-methylphenyl)methyl]-5-oxo-2H-triazole-4-carboxylate
CID 159608029
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate (CID 101389640) is ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1Cc1ccc(C)cc1.
What is the InChIKey of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is JQGZBBATMWAGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-18-15(17)14-13(19-11(3)16-14)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate?
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-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 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 101389640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).