2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid

C15H18N2O3 — CID 82134589

IUPAC2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1nnc(CC(=O)O)o1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-10(15(2,3)4)7-11(9)14-17-16-12(20-14)8-13(18)19/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyVGCCSYASAUIQOF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.97
Rot. Bonds3

About 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid

2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 82134589) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID82134589
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1nnc(CC(=O)O)o1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-10(15(2,3)4)7-11(9)14-17-16-12(20-14)8-13(18)19/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyVGCCSYASAUIQOF-UHFFFAOYSA-N
XLogP2.97
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029
5-tert-butyl-2-(carboxymethyl)benzoic acid
CID 58860391
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
CID 82306448
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
3-[5-(3-hydroxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929244
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (CID 82134589) is 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is Cc1ccc(C(C)(C)C)cc1-c1nnc(CC(=O)O)o1.
What is the InChIKey of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is VGCCSYASAUIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-10(15(2,3)4)7-11(9)14-17-16-12(20-14)8-13(18)19/h5-7H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 82134589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).