2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid

C13H10N4O3 — CID 94069111

IUPAC2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C13H10N4O3/c18-11(19)8-17-7-1-2-10(17)13-15-12(16-20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,18,19)
InChIKeyVEDVYYJCHOHKHT-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.68
Rot. Bonds4

About 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid

2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid (PubChem CID 94069111) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
PubChem CID94069111
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C13H10N4O3/c18-11(19)8-17-7-1-2-10(17)13-15-12(16-20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,18,19)
InChIKeyVEDVYYJCHOHKHT-UHFFFAOYSA-N
XLogP1.68
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 50925960
2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
CID 91888381
N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527011
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 95181599
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
2-[2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 71802692
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid (CID 94069111) is 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid?
The InChIKey is VEDVYYJCHOHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-11(19)8-17-7-1-2-10(17)13-15-12(16-20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid?
2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 94069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).