2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid

C10H12N2O4 — CID 65330720

IUPAC2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(C2CCOC2)no1
InChIInChI=1S/C10H12N2O4/c13-10(14)7-3-6(7)9-11-8(12-16-9)5-1-2-15-4-5/h5-7H,1-4H2,(H,13,14)
InChIKeyYOVVOLDUOJAWLC-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.76
Rot. Bonds3

About 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid

2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 65330720) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID65330720
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(C2CCOC2)no1
InChIInChI=1S/C10H12N2O4/c13-10(14)7-3-6(7)9-11-8(12-16-9)5-1-2-15-4-5/h5-7H,1-4H2,(H,13,14)
InChIKeyYOVVOLDUOJAWLC-UHFFFAOYSA-N
XLogP0.76
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
cis-(3R,4S)-3-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 98878690
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200899
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232
3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole
CID 134127275
2-methoxy-1-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 72887314
2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 97444084
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570784
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid (CID 65330720) is 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc(C2CCOC2)no1.
What is the InChIKey of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is YOVVOLDUOJAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-10(14)7-3-6(7)9-11-8(12-16-9)5-1-2-15-4-5/h5-7H,1-4H2,(H,13,14).
What are the key properties of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65330720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).