N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine

C10H19N3O — CID 117209991

IUPACN'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine
SMILESCC(C)(C)c1oncc1NCCCN
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-8(7-13-14-9)12-6-4-5-11/h7,12H,4-6,11H2,1-3H3
InChIKeyQZGLZOHTLXWLAA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds4

About N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine

N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine (PubChem CID 117209991) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine
PubChem CID117209991
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine
SMILESCC(C)(C)c1oncc1NCCCN
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-8(7-13-14-9)12-6-4-5-11/h7,12H,4-6,11H2,1-3H3
InChIKeyQZGLZOHTLXWLAA-UHFFFAOYSA-N
XLogP1.73
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine (CID 117209991) is N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine is CC(C)(C)c1oncc1NCCCN.
What is the InChIKey of N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The InChIKey is QZGLZOHTLXWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)9-8(7-13-14-9)12-6-4-5-11/h7,12H,4-6,11H2,1-3H3.
What are the key properties of N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine?
N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine has a molecular weight of 197.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).