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

C18H16N2O3 — CID 118533564

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid
SMILESCc1nnc(C(CC(=O)O)c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C18H16N2O3/c1-12-19-20-18(23-12)16(11-17(21)22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22)
InChIKeyDHPMTNQIPORRKY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.65
Rot. Bonds5

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid (PubChem CID 118533564) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid
PubChem CID118533564
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid
SMILESCc1nnc(C(CC(=O)O)c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C18H16N2O3/c1-12-19-20-18(23-12)16(11-17(21)22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22)
InChIKeyDHPMTNQIPORRKY-UHFFFAOYSA-N
XLogP3.65
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid (CID 118533564) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid is Cc1nnc(C(CC(=O)O)c2cccc(-c3ccccc3)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid?
The InChIKey is DHPMTNQIPORRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-19-20-18(23-12)16(11-17(21)22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-phenylphenyl)propanoic acid is sourced from PubChem (CID 118533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).