2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

C6H9N3O4 — CID 174173034

IUPAC2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCOc1noc(CCNC(=O)O)n1
InChIInChI=1S/C6H9N3O4/c1-12-5-8-4(13-9-5)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeyYHCZXLIEIMJHJE-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.11
Rot. Bonds4

About 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (PubChem CID 174173034) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
PubChem CID174173034
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCOc1noc(CCNC(=O)O)n1
InChIInChI=1S/C6H9N3O4/c1-12-5-8-4(13-9-5)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeyYHCZXLIEIMJHJE-UHFFFAOYSA-N
XLogP-0.11
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (CID 174173034) is 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is COc1noc(CCNC(=O)O)n1.
What is the InChIKey of 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The InChIKey is YHCZXLIEIMJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-12-5-8-4(13-9-5)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid has a molecular weight of 187.16 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 174173034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).