4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide

C10H16N4O2 — CID 80543730

IUPAC4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H16N4O2/c1-6(4-5-11)8(15)12-10-14-13-9(16-10)7-2-3-7/h6-7H,2-5,11H2,1H3,(H,12,14,15)
InChIKeyDGKYGOZOFIEKMC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.87
Rot. Bonds5

About 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide

4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide (PubChem CID 80543730) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide
PubChem CID80543730
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H16N4O2/c1-6(4-5-11)8(15)12-10-14-13-9(16-10)7-2-3-7/h6-7H,2-5,11H2,1H3,(H,12,14,15)
InChIKeyDGKYGOZOFIEKMC-UHFFFAOYSA-N
XLogP0.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide (CID 80543730) is 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide is CC(CCN)C(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide?
The InChIKey is DGKYGOZOFIEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(4-5-11)8(15)12-10-14-13-9(16-10)7-2-3-7/h6-7H,2-5,11H2,1H3,(H,12,14,15).
What are the key properties of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide?
4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 80543730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).