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

C15H15FN2O3 — CID 103979801

IUPAC2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C15H15FN2O3/c16-12-7-2-1-4-9(12)8-13-17-14(21-18-13)10-5-3-6-11(10)15(19)20/h1-2,4,7,10-11H,3,5-6,8H2,(H,19,20)
InChIKeyDRVVEOLKRCXUQO-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.77
Rot. Bonds4

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

2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103979801) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103979801
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C15H15FN2O3/c16-12-7-2-1-4-9(12)8-13-17-14(21-18-13)10-5-3-6-11(10)15(19)20/h1-2,4,7,10-11H,3,5-6,8H2,(H,19,20)
InChIKeyDRVVEOLKRCXUQO-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]cyclopentane-1-carboxylic acid
CID 103552034
2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 54918234
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979793
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979840
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351048
N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62594126
2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62956165

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103979801) is 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1nc(Cc2ccccc2F)no1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is DRVVEOLKRCXUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-7-2-1-4-9(12)8-13-17-14(21-18-13)10-5-3-6-11(10)15(19)20/h1-2,4,7,10-11H,3,5-6,8H2,(H,19,20).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
2-[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 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).