4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid

C9H14N2O3 — CID 28949628

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)c1noc(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O3/c1-6(2)9-10-7(14-11-9)4-3-5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyNNGFUHPRRCAMOK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.60
Rot. Bonds5

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 28949628) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID28949628
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)c1noc(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O3/c1-6(2)9-10-7(14-11-9)4-3-5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyNNGFUHPRRCAMOK-UHFFFAOYSA-N
XLogP1.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 28949628) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid is CC(C)c1noc(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is NNGFUHPRRCAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)9-10-7(14-11-9)4-3-5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 28949628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).