3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

C14H16N2O3 — CID 94692581

IUPAC3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCCc1ccc(-c2nnc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-3-10-4-6-11(7-5-10)14-16-15-12(19-14)8-9-13(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyIGZAAFWYMVCQPQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.71
Rot. Bonds6

About 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 94692581) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID94692581
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCCc1ccc(-c2nnc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-3-10-4-6-11(7-5-10)14-16-15-12(19-14)8-9-13(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyIGZAAFWYMVCQPQ-UHFFFAOYSA-N
XLogP2.71
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-hydroxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929244
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24550486
3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107980690
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 63186938
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 94692581) is 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is CCCc1ccc(-c2nnc(CCC(=O)O)o2)cc1.
What is the InChIKey of 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is IGZAAFWYMVCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-10-4-6-11(7-5-10)14-16-15-12(19-14)8-9-13(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 94692581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).