5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid

C13H12N2O4 — CID 102689830

IUPAC5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3ccccc3)no2)O1
InChIInChI=1S/C13H12N2O4/c16-13(17)10-7-6-9(18-10)12-14-11(15-19-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17)
InChIKeyNKRTZRGHHOCPOR-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.04
Rot. Bonds3

About 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid

5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid (PubChem CID 102689830) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
PubChem CID102689830
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3ccccc3)no2)O1
InChIInChI=1S/C13H12N2O4/c16-13(17)10-7-6-9(18-10)12-14-11(15-19-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17)
InChIKeyNKRTZRGHHOCPOR-UHFFFAOYSA-N
XLogP2.04
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689863
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689851
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 136843995
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689911
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689831
5-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689848
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 44783596
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid (CID 102689830) is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid is O=C(O)C1CCC(c2nc(-c3ccccc3)no2)O1.
What is the InChIKey of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid?
The InChIKey is NKRTZRGHHOCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-13(17)10-7-6-9(18-10)12-14-11(15-19-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17).
What are the key properties of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid?
5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102689830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).