7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride

C15H29ClN4O2 — CID 119817299

IUPAC7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-11(13-18-14(19-21-13)15(2,3)4)17-12(20)9-7-5-6-8-10-16;/h11H,5-10,16H2,1-4H3,(H,17,20);1H
InChIKeyFRIFWLBDTMHGEI-UHFFFAOYSA-N
MW332.88 g/mol
LogP2.88
Rot. Bonds8

About 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride

7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride (PubChem CID 119817299) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
PubChem CID119817299
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC Name7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-11(13-18-14(19-21-13)15(2,3)4)17-12(20)9-7-5-6-8-10-16;/h11H,5-10,16H2,1-4H3,(H,17,20);1H
InChIKeyFRIFWLBDTMHGEI-UHFFFAOYSA-N
XLogP2.88
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 52.88
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-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride (CID 119817299) is 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride is CC(NC(=O)CCCCCCN)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride?
The InChIKey is FRIFWLBDTMHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c1-11(13-18-14(19-21-13)15(2,3)4)17-12(20)9-7-5-6-8-10-16;/h11H,5-10,16H2,1-4H3,(H,17,20);1H.
What are the key properties of 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride?
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119817299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).