N-(2-methylpropyl)-1,2-oxazol-3-amine

C7H12N2O — CID 59531410

IUPACN-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)CNc1ccon1
InChIInChI=1S/C7H12N2O/c1-6(2)5-8-7-3-4-10-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyHIIZEOXWZQJLIJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.74
Rot. Bonds3

About N-(2-methylpropyl)-1,2-oxazol-3-amine

N-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 59531410) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID59531410
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)CNc1ccon1
InChIInChI=1S/C7H12N2O/c1-6(2)5-8-7-3-4-10-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyHIIZEOXWZQJLIJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of N-(2-methylpropyl)-1,2-oxazol-3-amine (CID 59531410) is N-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for N-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)CNc1ccon1.
What is the InChIKey of N-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is HIIZEOXWZQJLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)5-8-7-3-4-10-9-7/h3-4,6H,5H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methylpropyl)-1,2-oxazol-3-amine?
N-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 59531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).