(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H15N3O4 — CID 95140306

IUPAC(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)n1
InChIInChI=1S/C15H15N3O4/c1-2-12-16-14(22-17-12)9-4-3-5-11(6-9)18-8-10(15(20)21)7-13(18)19/h3-6,10H,2,7-8H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyBBDRUGTYSVVSBK-SNVBAGLBSA-N
MW301.30 g/mol
LogP1.74
Rot. Bonds4

About (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95140306) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95140306
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)n1
InChIInChI=1S/C15H15N3O4/c1-2-12-16-14(22-17-12)9-4-3-5-11(6-9)18-8-10(15(20)21)7-13(18)19/h3-6,10H,2,7-8H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyBBDRUGTYSVVSBK-SNVBAGLBSA-N
XLogP1.74
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166185988
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
1-[3-(2-methylpyrimidin-4-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691246
1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692194
1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 71794536
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
1-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 56772339
(3S)-1-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 94671731
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93064680
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92736384
(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95190660

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 95140306) is (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CCc1noc(-c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)n1.
What is the InChIKey of (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BBDRUGTYSVVSBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-12-16-14(22-17-12)9-4-3-5-11(6-9)18-8-10(15(20)21)7-13(18)19/h3-6,10H,2,7-8H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95140306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).