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

C20H19N3O4 — CID 139270311

IUPACethyl 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
InChIKeyYMWMBJVKEHTTSY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.35
Rot. Bonds7

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

ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate (PubChem CID 139270311) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
PubChem CID139270311
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 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
InChIKeyYMWMBJVKEHTTSY-UHFFFAOYSA-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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Related Compounds

ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
CID 129017267
ethane;ethyl (E)-3-[(4-methyl-6-phenylmethoxy-3-pyridinyl)oxy]but-2-enoate
CID 170599688
ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate
CID 156856327
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937
ethane;ethyl (Z)-4-oxo-3-phenylmethoxybut-2-enoate;prop-1-en-2-amine
CID 143914934
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
ethyl 3-(2-methoxy-5-phenylmethoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)prop-2-enoate
CID 123669003

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate (CID 139270311) is ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 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 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
The InChIKey is YMWMBJVKEHTTSY-UHFFFAOYSA-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.
What are the key properties of ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate?
ethyl 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 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 139270311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).