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

C12H18N2O3 — CID 65390508

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H18N2O3/c15-11(16)8-7-10-13-12(14-17-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H,15,16)
InChIKeyPCBAJVYQRGBYAQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.52
Rot. Bonds4

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

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 65390508) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID65390508
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H18N2O3/c15-11(16)8-7-10-13-12(14-17-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H,15,16)
InChIKeyPCBAJVYQRGBYAQ-UHFFFAOYSA-N
XLogP2.52
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65409407
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 65390508) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid is O=C(O)CCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is PCBAJVYQRGBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11(16)8-7-10-13-12(14-17-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H,15,16).
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 65390508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).