2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid

C15H16N2O3 — CID 82020875

IUPAC2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-9-2-4-10(5-3-9)8-12(15(18)19)14-17-16-13(20-14)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyHCKVXHXRLXCALI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.67
Rot. Bonds5

About 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid

2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid (PubChem CID 82020875) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
PubChem CID82020875
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-9-2-4-10(5-3-9)8-12(15(18)19)14-17-16-13(20-14)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyHCKVXHXRLXCALI-UHFFFAOYSA-N
XLogP2.67
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020848
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 82026620
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 106312276
3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104573126
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931
2-(iodomethyl)-3-(4-methylphenyl)propanoic acid
CID 11779777
2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(4-methylphenyl)propanoic acid
CID 116522786

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid (CID 82020875) is 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid is Cc1ccc(CC(C(=O)O)c2nnc(C3CC3)o2)cc1.
What is the InChIKey of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid?
The InChIKey is HCKVXHXRLXCALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-2-4-10(5-3-9)8-12(15(18)19)14-17-16-13(20-14)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid?
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 82020875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).