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

C6H9N3O3 — CID 89157227

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCc1noc(CCNC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeyCGPUACWKESRSHT-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.19
Rot. Bonds3

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (PubChem CID 89157227) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
PubChem CID89157227
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCc1noc(CCNC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeyCGPUACWKESRSHT-UHFFFAOYSA-N
XLogP0.19
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (CID 89157227) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is Cc1noc(CCNC(=O)O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The InChIKey is CGPUACWKESRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-3-7-6(10)11/h7H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid has a molecular weight of 171.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 89157227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).