4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C10H14N4O5 — CID 106404004

IUPAC4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(NCCc1ncno1)NC1COCC1C(=O)O
InChIInChI=1S/C10H14N4O5/c15-9(16)6-3-18-4-7(6)14-10(17)11-2-1-8-12-5-13-19-8/h5-7H,1-4H2,(H,15,16)(H2,11,14,17)
InChIKeyRQGACMPOCFPFBY-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.99
Rot. Bonds5

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

4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 106404004) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID106404004
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(NCCc1ncno1)NC1COCC1C(=O)O
InChIInChI=1S/C10H14N4O5/c15-9(16)6-3-18-4-7(6)14-10(17)11-2-1-8-12-5-13-19-8/h5-7H,1-4H2,(H,15,16)(H2,11,14,17)
InChIKeyRQGACMPOCFPFBY-UHFFFAOYSA-N
XLogP-0.99
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66223549
4-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238570
4-(1,2,4-Oxadiazol-5-yl)oxolan-3-amine
CID 102993688
4-(1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 102993787
N-methyl-4-(1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 102993826
N-ethyl-4-(1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 102993939
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 106397341
4-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide
CID 106397417
4-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide
CID 106397419
4-[Ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
4-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 106402874
4-[Methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402936

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 106404004) is 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is O=C(NCCc1ncno1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is RQGACMPOCFPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-9(16)6-3-18-4-7(6)14-10(17)11-2-1-8-12-5-13-19-8/h5-7H,1-4H2,(H,15,16)(H2,11,14,17).
What are the key properties of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106404004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).