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

C14H14FN3O3 — CID 43442013

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)13-16-12(21-17-13)8-18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7-8H2,(H,19,20)
InChIKeyGMUAOMZDBHWMIZ-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.92
Rot. Bonds4

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

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442013) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442013
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)13-16-12(21-17-13)8-18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7-8H2,(H,19,20)
InChIKeyGMUAOMZDBHWMIZ-UHFFFAOYSA-N
XLogP1.92
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909036
(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119913908
1-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908671
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
2-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953609
1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908770
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909011
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
ethyl 4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate
CID 46601765
[(2S)-1-benzylpyrrolidin-2-yl]-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 95349433
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50965200

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid (CID 43442013) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GMUAOMZDBHWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)13-16-12(21-17-13)8-18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7-8H2,(H,19,20).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).