2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid

C8H12N4O5 — CID 106403554

IUPAC2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCc1ncon1
InChIInChI=1S/C8H12N4O5/c13-7(14)4-16-2-1-9-8(15)10-3-6-11-5-17-12-6/h5H,1-4H2,(H,13,14)(H2,9,10,15)
InChIKeyLXSCHEDDDCPPIG-UHFFFAOYSA-N
MW244.21 g/mol
LogP-1.03
Rot. Bonds7

About 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid

2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid (PubChem CID 106403554) has the molecular formula C8H12N4O5 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
PubChem CID106403554
Molecular FormulaC8H12N4O5
Molecular Weight244.21 g/mol
Exact Mass244.08
IUPAC Name2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCc1ncon1
InChIInChI=1S/C8H12N4O5/c13-7(14)4-16-2-1-9-8(15)10-3-6-11-5-17-12-6/h5H,1-4H2,(H,13,14)(H2,9,10,15)
InChIKeyLXSCHEDDDCPPIG-UHFFFAOYSA-N
XLogP-1.03
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463639
2,3-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 106401317
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
3-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 106403568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid (CID 106403554) is 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)NCc1ncon1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is LXSCHEDDDCPPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5/c13-7(14)4-16-2-1-9-8(15)10-3-6-11-5-17-12-6/h5H,1-4H2,(H,13,14)(H2,9,10,15).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid?
2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 244.21 g/mol, XLogP of -1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 106403554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).