N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine

C9H17N3O — CID 62595599

IUPACN-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C9H17N3O/c1-5-6-7-10-8(13-12-7)11-9(2,3)4/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyJMGASAJZUGFUAI-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds3

About N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine

N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 62595599) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine
PubChem CID62595599
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C9H17N3O/c1-5-6-7-10-8(13-12-7)11-9(2,3)4/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyJMGASAJZUGFUAI-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine (CID 62595599) is N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine is CCCc1noc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is JMGASAJZUGFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-6-7-10-8(13-12-7)11-9(2,3)4/h5-6H2,1-4H3,(H,10,11,12).
What are the key properties of N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 183.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).