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

C13H20N2O3 — CID 65390511

IUPAC4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H20N2O3/c16-12(17)9-5-8-11-14-13(15-18-11)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,16,17)
InChIKeyXAVCFIZNZFVDNB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.91
Rot. Bonds5

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

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 65390511) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID65390511
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H20N2O3/c16-12(17)9-5-8-11-14-13(15-18-11)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,16,17)
InChIKeyXAVCFIZNZFVDNB-UHFFFAOYSA-N
XLogP2.91
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid
CID 80609878
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122

Frequently Asked Questions

What is the IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 65390511) is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid is O=C(O)CCCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is XAVCFIZNZFVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(17)9-5-8-11-14-13(15-18-11)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,16,17).
What are the key properties of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 65390511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).