3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid

C12H13N3O3 — CID 123371806

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cncc(C(CC(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-9(6-13-5-7)10(4-11(16)17)12-15-14-8(2)18-12/h3,5-6,10H,4H2,1-2H3,(H,16,17)
InChIKeyNXAQTJMPKCOZQX-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.69
Rot. Bonds4

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid (PubChem CID 123371806) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid
PubChem CID123371806
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cncc(C(CC(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-9(6-13-5-7)10(4-11(16)17)12-15-14-8(2)18-12/h3,5-6,10H,4H2,1-2H3,(H,16,17)
InChIKeyNXAQTJMPKCOZQX-UHFFFAOYSA-N
XLogP1.69
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-methoxy-5-propan-2-ylphenyl)-3-pyridinyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225156
3-[5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3-pyridinyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094553
3-[5-(2-methoxy-5-methylsulfonylphenyl)-3-pyridinyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094473
3-[3-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225121
3-[3-[2-(hydroxymethyl)-6-methoxyphenyl]phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225131
3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094455
3-[3-[5-(hydroxymethyl)-2-methoxyphenyl]phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225122
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
3-[3-fluoro-5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094496
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 110407002
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
CID 82026604
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid (CID 123371806) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid is Cc1cncc(C(CC(=O)O)c2nnc(C)o2)c1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The InChIKey is NXAQTJMPKCOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-9(6-13-5-7)10(4-11(16)17)12-15-14-8(2)18-12/h3,5-6,10H,4H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 123371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).