(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid

C13H12N2O4 — CID 35752791

IUPAC(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(\C(=O)O)c1nnc(C)o1
InChIInChI=1S/C13H12N2O4/c1-8-14-15-12(19-8)10(13(16)17)7-9-5-3-4-6-11(9)18-2/h3-7H,1-2H3,(H,16,17)/b10-7-
InChIKeyOPUNZQAXLPTKHX-YFHOEESVSA-N
MW260.25 g/mol
LogP2.01
Rot. Bonds4

About (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid

(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid (PubChem CID 35752791) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
PubChem CID35752791
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(\C(=O)O)c1nnc(C)o1
InChIInChI=1S/C13H12N2O4/c1-8-14-15-12(19-8)10(13(16)17)7-9-5-3-4-6-11(9)18-2/h3-7H,1-2H3,(H,16,17)/b10-7-
InChIKeyOPUNZQAXLPTKHX-YFHOEESVSA-N
XLogP2.01
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-ethoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 35752809
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
ethyl 2-(1,3-benzoxazol-2-yl)-3-(2-methoxyphenyl)prop-2-enoate
CID 54088325
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
CID 83951220
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
(4,5-dimethyl-1,3-oxazol-2-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 47821606
(Z)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 124662201
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
CID 67850877
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid (CID 35752791) is (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid is COc1ccccc1/C=C(\C(=O)O)c1nnc(C)o1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid?
The InChIKey is OPUNZQAXLPTKHX-YFHOEESVSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-14-15-12(19-8)10(13(16)17)7-9-5-3-4-6-11(9)18-2/h3-7H,1-2H3,(H,16,17)/b10-7-.
What are the key properties of (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid?
(Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid is sourced from PubChem (CID 35752791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).