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

C15H15FN2O3 — CID 103552034

IUPAC3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C15H15FN2O3/c16-12-4-2-1-3-9(12)8-13-17-14(21-18-13)10-5-6-11(7-10)15(19)20/h1-4,10-11H,5-8H2,(H,19,20)
InChIKeyNEFJPJZYCXSSDU-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.77
Rot. Bonds4

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

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552034) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552034
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C15H15FN2O3/c16-12-4-2-1-3-9(12)8-13-17-14(21-18-13)10-5-6-11(7-10)15(19)20/h1-4,10-11H,5-8H2,(H,19,20)
InChIKeyNEFJPJZYCXSSDU-UHFFFAOYSA-N
XLogP2.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979801
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349683
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 114429886
N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62594126
3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 91841404

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552034) is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is NEFJPJZYCXSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-4-2-1-3-9(12)8-13-17-14(21-18-13)10-5-6-11(7-10)15(19)20/h1-4,10-11H,5-8H2,(H,19,20).
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).