4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid

C14H24N2O3 — CID 114212425

IUPAC4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)CCc1nnc(CC(C)(C)CC(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)7-6-10-15-16-11(19-10)8-14(4,5)9-12(17)18/h6-9H2,1-5H3,(H,17,18)
InChIKeyYCVSNWGPAXOMDF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds6

About 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid

4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid (PubChem CID 114212425) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
PubChem CID114212425
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)CCc1nnc(CC(C)(C)CC(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)7-6-10-15-16-11(19-10)8-14(4,5)9-12(17)18/h6-9H2,1-5H3,(H,17,18)
InChIKeyYCVSNWGPAXOMDF-UHFFFAOYSA-N
XLogP3.09
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-ethoxyethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62934121
3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 62934285
3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 66476374
4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62934630
4-[5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 103557483
4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid
CID 62933423
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62934626
3,3-dimethyl-4-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55151252
3,3-dimethyl-4-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55182108
4-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62933251
3,3-dimethyl-4-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62934117
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62933767

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid (CID 114212425) is 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid is CC(C)(C)CCc1nnc(CC(C)(C)CC(=O)O)o1.
What is the InChIKey of 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid?
The InChIKey is YCVSNWGPAXOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)7-6-10-15-16-11(19-10)8-14(4,5)9-12(17)18/h6-9H2,1-5H3,(H,17,18).
What are the key properties of 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid?
4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,3-dimethylbutyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).