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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Related Compounds

3-Amino-5-methylisoxazole
CID 66172
3-Isoxazolamine, 5-(1,1-dimethylethyl)-
CID 171473
3-Isoxazolamine, 5-(1,1-dimethylethyl)-, hydrochloride (1:1)
CID 11969519
5-Cyclopropyl-1,2-oxazol-3-amine
CID 15052486
5-(1-Methylcyclopropyl)-1,2-oxazol-3-amine
CID 20407037
5-Cyclobutyl-1,2-oxazol-3-amine
CID 55284696
5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine
CID 56954313
Imidodicarbonimidic diamide, N-(5-(1-methylethyl)-3-isoxazolyl)-
CID 3045531
5-Ethyl-1,2-oxazol-3-amine
CID 5094381
5-Propyl-1,2-oxazol-3-amine
CID 13334664
5-(1-Methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-amine
CID 13339614
5-(Tetrahydro-2H-pyran-4-yl)-3-isoxazolamine
CID 59394613

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).