ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate

C20H19N3O4 — CID 129017267

IUPACethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C=C(/c1cccc(OCc2ccccc2)n1)c1nnc(C)o1
InChIInChI=1S/C20H19N3O4/c1-3-25-19(24)12-16(20-23-22-14(2)27-20)17-10-7-11-18(21-17)26-13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3/b16-12-
InChIKeyYMWMBJVKEHTTSY-VBKFSLOCSA-N
MW365.39 g/mol
LogP3.35
Rot. Bonds7

About ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate

ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate (PubChem CID 129017267) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
PubChem CID129017267
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C=C(/c1cccc(OCc2ccccc2)n1)c1nnc(C)o1
InChIInChI=1S/C20H19N3O4/c1-3-25-19(24)12-16(20-23-22-14(2)27-20)17-10-7-11-18(21-17)26-13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3/b16-12-
InChIKeyYMWMBJVKEHTTSY-VBKFSLOCSA-N
XLogP3.35
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate (CID 129017267) is ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate is CCOC(=O)/C=C(/c1cccc(OCc2ccccc2)n1)c1nnc(C)o1.
What is the InChIKey of ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The InChIKey is YMWMBJVKEHTTSY-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-25-19(24)12-16(20-23-22-14(2)27-20)17-10-7-11-18(21-17)26-13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3/b16-12-.
What are the key properties of ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate has a molecular weight of 365.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 129017267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).