ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

C16H17NO3 — CID 102525602

IUPACethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(/C=C/c2ccccc2)oc1C
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)11-14-12(2)20-15(17-14)10-9-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b10-9+
InChIKeyLLJGCEOGVFPLJB-MDZDMXLPSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (PubChem CID 102525602) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
PubChem CID102525602
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(/C=C/c2ccccc2)oc1C
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)11-14-12(2)20-15(17-14)10-9-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b10-9+
InChIKeyLLJGCEOGVFPLJB-MDZDMXLPSA-N
XLogP3.26
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 22933228
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
CID 13282954
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 13282921
ethyl 2-phenylacetate
CID 7590
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
ethyl 2-phenylacetate;hydrate
CID 141257001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (CID 102525602) is ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(/C=C/c2ccccc2)oc1C.
What is the InChIKey of ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is LLJGCEOGVFPLJB-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-16(18)11-14-12(2)20-15(17-14)10-9-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b10-9+.
What are the key properties of ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 271.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 102525602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).