3-butan-2-yl-1,2-oxazol-5-amine

C7H12N2O — CID 13168212

IUPAC3-butan-2-yl-1,2-oxazol-5-amine
SMILESCCC(C)c1cc(N)on1
InChIInChI=1S/C7H12N2O/c1-3-5(2)6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3
InChIKeyFTXSQFAXWUMNKU-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.77
Rot. Bonds2

About 3-butan-2-yl-1,2-oxazol-5-amine

3-butan-2-yl-1,2-oxazol-5-amine (PubChem CID 13168212) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-butan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-1,2-oxazol-5-amine
PubChem CID13168212
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-butan-2-yl-1,2-oxazol-5-amine
SMILESCCC(C)c1cc(N)on1
InChIInChI=1S/C7H12N2O/c1-3-5(2)6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3
InChIKeyFTXSQFAXWUMNKU-UHFFFAOYSA-N
XLogP1.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-butan-2-yl-1,2-oxazol-5-amine (CID 13168212) is 3-butan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-butan-2-yl-1,2-oxazol-5-amine is CCC(C)c1cc(N)on1.
What is the InChIKey of 3-butan-2-yl-1,2-oxazol-5-amine?
The InChIKey is FTXSQFAXWUMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5(2)6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3.
What are the key properties of 3-butan-2-yl-1,2-oxazol-5-amine?
3-butan-2-yl-1,2-oxazol-5-amine has a molecular weight of 140.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 13168212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).