3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid

C12H11N3O4 — CID 79800146

IUPAC3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
SMILESCc1nnc(COc2ccc(C=CC(=O)O)nc2)o1
InChIInChI=1S/C12H11N3O4/c1-8-14-15-11(19-8)7-18-10-4-2-9(13-6-10)3-5-12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOWRJWAYFQSYPOM-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.45
Rot. Bonds5

About 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid

3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid (PubChem CID 79800146) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
PubChem CID79800146
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
SMILESCc1nnc(COc2ccc(C=CC(=O)O)nc2)o1
InChIInChI=1S/C12H11N3O4/c1-8-14-15-11(19-8)7-18-10-4-2-9(13-6-10)3-5-12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOWRJWAYFQSYPOM-UHFFFAOYSA-N
XLogP1.45
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
3-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800410
3-[5-(3-methylbut-2-enoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800498
(E)-3-[5-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 112641188
3-[3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 79881574
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79799511
3-[5-[(5-bromothiophen-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799402
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
(E)-3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257468
1-[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-2-yl]ethanone
CID 71978689

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid (CID 79800146) is 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid is Cc1nnc(COc2ccc(C=CC(=O)O)nc2)o1.
What is the InChIKey of 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid?
The InChIKey is OWRJWAYFQSYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-8-14-15-11(19-8)7-18-10-4-2-9(13-6-10)3-5-12(16)17/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid?
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid has a molecular weight of 261.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 79800146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).