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

C14H15NO3 — CID 58934123

IUPACethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C14H15NO3/c1-4-17-14(16)12-10(3)18-13(15-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3
InChIKeySXCMSTGPRZRAMW-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.14
Rot. Bonds3

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

ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 58934123) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID58934123
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C14H15NO3/c1-4-17-14(16)12-10(3)18-13(15-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3
InChIKeySXCMSTGPRZRAMW-UHFFFAOYSA-N
XLogP3.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Dimethyl 4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)benzylmalonate
CID 6918417
2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 9866203
2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402
Diethyl 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylmalonate
CID 11797860
Methyl 7-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25149125
Methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
CID 685354
2-Phenyl-4-oxazolecarboxamide
CID 604678
5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate (CID 58934123) is ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is SXCMSTGPRZRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-17-14(16)12-10(3)18-13(15-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 58934123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).