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

C14H15NO3 — CID 21494568

IUPACmethyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C)oc1CCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-10-15-13(14(16)17-2)12(18-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyYIQJDWLOLOWNLO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.55
Rot. Bonds4

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

methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate (PubChem CID 21494568) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
PubChem CID21494568
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C)oc1CCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-10-15-13(14(16)17-2)12(18-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyYIQJDWLOLOWNLO-UHFFFAOYSA-N
XLogP2.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 146591456
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-phenylpropanamide
CID 110718749
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
CID 143259904
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 2-(2-phenylethyl)benzoate
CID 59701000
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 11033486

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate (CID 21494568) is methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C)oc1CCc1ccccc1.
What is the InChIKey of methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is YIQJDWLOLOWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-15-13(14(16)17-2)12(18-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 21494568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).