3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide

C6H10N4O2 — CID 71865495

IUPAC3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(N)c1noc(C(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-6(2,8)5-9-4(3(7)11)12-10-5/h8H2,1-2H3,(H2,7,11)
InChIKeyYYMPVUCUGGRPRH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.64
Rot. Bonds2

About 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide

3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 71865495) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID71865495
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(N)c1noc(C(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-6(2,8)5-9-4(3(7)11)12-10-5/h8H2,1-2H3,(H2,7,11)
InChIKeyYYMPVUCUGGRPRH-UHFFFAOYSA-N
XLogP-0.64
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide (CID 71865495) is 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide is CC(C)(N)c1noc(C(N)=O)n1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YYMPVUCUGGRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-6(2,8)5-9-4(3(7)11)12-10-5/h8H2,1-2H3,(H2,7,11).
What are the key properties of 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide?
3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 71865495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).