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

C14H14BrN3O3 — CID 43442068

IUPAC1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H14BrN3O3/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-18-7-3-6-11(18)14(19)20/h1-2,4-5,11H,3,6-8H2,(H,19,20)
InChIKeyCLAWACOEQKZJTD-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.55
Rot. Bonds4

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

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442068) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442068
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H14BrN3O3/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-18-7-3-6-11(18)14(19)20/h1-2,4-5,11H,3,6-8H2,(H,19,20)
InChIKeyCLAWACOEQKZJTD-UHFFFAOYSA-N
XLogP2.55
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
2-(2-bromophenyl)-5-[[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97014555
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 33106508
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperidin-4-amine
CID 115313163
1-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30807595
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4690885
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038731

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 43442068) is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CLAWACOEQKZJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-18-7-3-6-11(18)14(19)20/h1-2,4-5,11H,3,6-8H2,(H,19,20).
What are the key properties of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 352.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).