ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate

C15H15NO3 — CID 140643650

IUPACethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)9-6-12-4-7-13(8-5-12)14-10-16-11(2)19-14/h4-10H,3H2,1-2H3/b9-6+
InChIKeyVMXJCQWLBPQFBB-RMKNXTFCSA-N
MW257.29 g/mol
LogP3.23
Rot. Bonds4

About ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate

ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate (PubChem CID 140643650) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
PubChem CID140643650
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)9-6-12-4-7-13(8-5-12)14-10-16-11(2)19-14/h4-10H,3H2,1-2H3/b9-6+
InChIKeyVMXJCQWLBPQFBB-RMKNXTFCSA-N
XLogP3.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
CID 83764600
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (Z)-3-(4-methylsulfonylphenyl)prop-2-enoate
CID 86308026
ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
CID 169480203

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate (CID 140643650) is ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(-c2cnc(C)o2)cc1.
What is the InChIKey of ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate?
The InChIKey is VMXJCQWLBPQFBB-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-18-15(17)9-6-12-4-7-13(8-5-12)14-10-16-11(2)19-14/h4-10H,3H2,1-2H3/b9-6+.
What are the key properties of ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate?
ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 140643650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).