7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid

C10H16N2O4 — CID 10176943

IUPAC7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1nnc(CO)o1
InChIInChI=1S/C10H16N2O4/c13-7-9-12-11-8(16-9)5-3-1-2-4-6-10(14)15/h13H,1-7H2,(H,14,15)
InChIKeyBVIMBBNNGBFBSP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.14
Rot. Bonds8

About 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid

7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid (PubChem CID 10176943) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid
PubChem CID10176943
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1nnc(CO)o1
InChIInChI=1S/C10H16N2O4/c13-7-9-12-11-8(16-9)5-3-1-2-4-6-10(14)15/h13H,1-7H2,(H,14,15)
InChIKeyBVIMBBNNGBFBSP-UHFFFAOYSA-N
XLogP1.14
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid?
The IUPAC name of 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid (CID 10176943) is 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid.
What is the SMILES notation for 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid?
The canonical SMILES for 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid is O=C(O)CCCCCCc1nnc(CO)o1.
What is the InChIKey of 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid?
The InChIKey is BVIMBBNNGBFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-7-9-12-11-8(16-9)5-3-1-2-4-6-10(14)15/h13H,1-7H2,(H,14,15).
What are the key properties of 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid?
7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid has a molecular weight of 228.25 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]heptanoic acid is sourced from PubChem (CID 10176943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).