N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide

C12H20N4O2 — CID 61251940

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H20N4O2/c1-8(2)13-7-3-4-10(17)14-12-16-15-11(18-12)9-5-6-9/h8-9,13H,3-7H2,1-2H3,(H,14,16,17)
InChIKeyDIEJCCISBLGNRS-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.66
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 61251940) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide
PubChem CID61251940
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H20N4O2/c1-8(2)13-7-3-4-10(17)14-12-16-15-11(18-12)9-5-6-9/h8-9,13H,3-7H2,1-2H3,(H,14,16,17)
InChIKeyDIEJCCISBLGNRS-UHFFFAOYSA-N
XLogP1.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide (CID 61251940) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is DIEJCCISBLGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)13-7-3-4-10(17)14-12-16-15-11(18-12)9-5-6-9/h8-9,13H,3-7H2,1-2H3,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 252.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61251940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).