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

C14H15N3O3 — CID 63032406

IUPAC1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C14H15N3O3/c18-14(19)11-6-7-17(8-11)9-12-15-13(20-16-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,19)
InChIKeyRYJGYBYOTGQUTC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.64
Rot. Bonds4

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

1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032406) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63032406
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C14H15N3O3/c18-14(19)11-6-7-17(8-11)9-12-15-13(20-16-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,19)
InChIKeyRYJGYBYOTGQUTC-UHFFFAOYSA-N
XLogP1.64
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 98042268
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915596
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 71794533
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 63032406) is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RYJGYBYOTGQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(19)11-6-7-17(8-11)9-12-15-13(20-16-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,19).
What are the key properties of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).