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

C6H10N2O — CID 13334663

IUPAC5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(N)no1
InChIInChI=1S/C6H10N2O/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3,(H2,7,8)
InChIKeyAKJAMSGDZPHREW-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.38
Rot. Bonds1

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

5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 13334663) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID13334663
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(N)no1
InChIInChI=1S/C6H10N2O/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3,(H2,7,8)
InChIKeyAKJAMSGDZPHREW-UHFFFAOYSA-N
XLogP1.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-propan-2-yl-1,2-oxazol-3-amine (CID 13334663) is 5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1cc(N)no1.
What is the InChIKey of 5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is AKJAMSGDZPHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3,(H2,7,8).
What are the key properties of 5-propan-2-yl-1,2-oxazol-3-amine?
5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 126.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 13334663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).