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

C16H18N2O3 — CID 81436210

IUPAC2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(C2CCCCCC2)o1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-10-6-5-9-12(13)15-18-17-14(21-15)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyHSXMUJQKMKBFKI-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.87
Rot. Bonds3

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

2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid (PubChem CID 81436210) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
PubChem CID81436210
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(C2CCCCCC2)o1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-10-6-5-9-12(13)15-18-17-14(21-15)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyHSXMUJQKMKBFKI-UHFFFAOYSA-N
XLogP3.87
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The IUPAC name of 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid (CID 81436210) is 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The canonical SMILES for 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid is O=C(O)c1ccccc1-c1nnc(C2CCCCCC2)o1.
What is the InChIKey of 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The InChIKey is HSXMUJQKMKBFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)13-10-6-5-9-12(13)15-18-17-14(21-15)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,19,20).
What are the key properties of 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid?
2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid is sourced from PubChem (CID 81436210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).