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

C12H20N4O2 — CID 61253288

IUPAC7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H20N4O2/c13-8-4-2-1-3-5-10(17)14-12-16-15-11(18-12)9-6-7-9/h9H,1-8,13H2,(H,14,16,17)
InChIKeyZFCDBOVQMGCWKL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.79
Rot. Bonds8

About 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide

7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide (PubChem CID 61253288) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide
PubChem CID61253288
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H20N4O2/c13-8-4-2-1-3-5-10(17)14-12-16-15-11(18-12)9-6-7-9/h9H,1-8,13H2,(H,14,16,17)
InChIKeyZFCDBOVQMGCWKL-UHFFFAOYSA-N
XLogP1.79
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.79
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 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide (CID 61253288) is 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide is NCCCCCCC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide?
The InChIKey is ZFCDBOVQMGCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-8-4-2-1-3-5-10(17)14-12-16-15-11(18-12)9-6-7-9/h9H,1-8,13H2,(H,14,16,17).
What are the key properties of 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide?
7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide has a molecular weight of 252.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)heptanamide is sourced from PubChem (CID 61253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).