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

C14H12F2N2O3 — CID 103979793

IUPAC2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C14H12F2N2O3/c15-10-5-4-7(6-11(10)16)12-17-13(21-18-12)8-2-1-3-9(8)14(19)20/h4-6,8-9H,1-3H2,(H,19,20)
InChIKeyPNRLBEQHTBXULR-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.98
Rot. Bonds3

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

2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103979793) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103979793
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C14H12F2N2O3/c15-10-5-4-7(6-11(10)16)12-17-13(21-18-12)8-2-1-3-9(8)14(19)20/h4-6,8-9H,1-3H2,(H,19,20)
InChIKeyPNRLBEQHTBXULR-UHFFFAOYSA-N
XLogP2.98
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979784
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689851
[(1R,2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 100659445
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979801
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
(2R)-2-[4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-oxazol-5-yl]cyclohexane-1-carboxylic acid
CID 118011220
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 115753243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103979793) is 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is PNRLBEQHTBXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c15-10-5-4-7(6-11(10)16)12-17-13(21-18-12)8-2-1-3-9(8)14(19)20/h4-6,8-9H,1-3H2,(H,19,20).
What are the key properties of 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 294.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).