5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid

C14H15FN2O3 — CID 60910784

IUPAC5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C14H15FN2O3/c15-11-6-2-1-5-10(11)9-13-17-16-12(20-13)7-3-4-8-14(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeySKZRFEALXBRMAV-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.60
Rot. Bonds7

About 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid

5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 60910784) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID60910784
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C14H15FN2O3/c15-11-6-2-1-5-10(11)9-13-17-16-12(20-13)7-3-4-8-14(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeySKZRFEALXBRMAV-UHFFFAOYSA-N
XLogP2.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 60910784) is 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid is O=C(O)CCCCc1nnc(Cc2ccccc2F)o1.
What is the InChIKey of 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is SKZRFEALXBRMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-11-6-2-1-5-10(11)9-13-17-16-12(20-13)7-3-4-8-14(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19).
What are the key properties of 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 278.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 60910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).