ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate

C9H11NO3 — CID 83764600

IUPACethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(C)o1
InChIInChI=1S/C9H11NO3/c1-3-12-9(11)5-4-8-6-10-7(2)13-8/h4-6H,3H2,1-2H3/b5-4+
InChIKeyVKNZXPIGEIGJNK-SNAWJCMRSA-N
MW181.19 g/mol
LogP1.56
Rot. Bonds3

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

ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate (PubChem CID 83764600) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
PubChem CID83764600
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(C)o1
InChIInChI=1S/C9H11NO3/c1-3-12-9(11)5-4-8-6-10-7(2)13-8/h4-6H,3H2,1-2H3/b5-4+
InChIKeyVKNZXPIGEIGJNK-SNAWJCMRSA-N
XLogP1.56
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.56
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-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
CID 140643650
5-[(E)-3-ethoxy-3-oxoprop-1-enyl]furan-2-carboxylic acid
CID 14929374
ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
CID 169480006
ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
CID 67270386
ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
CID 169480203
ethyl 2-amino-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]furan-3-carboxylate
CID 170872119
ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate
CID 53441856
ethyl 3-(3,5-dibromo-4-pyridinyl)prop-2-enoate
CID 68764811
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
ethyl (E)-3-(5-bromopyrazin-2-yl)prop-2-enoate
CID 53259408

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate (CID 83764600) is ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate is CCOC(=O)/C=C/c1cnc(C)o1.
What is the InChIKey of ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate?
The InChIKey is VKNZXPIGEIGJNK-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-12-9(11)5-4-8-6-10-7(2)13-8/h4-6H,3H2,1-2H3/b5-4+.
What are the key properties of ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate?
ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate has a molecular weight of 181.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate is sourced from PubChem (CID 83764600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).