1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine

C8H14N2O — CID 82416563

IUPAC1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
SMILESCc1onc(CC(C)N)c1C
InChIInChI=1S/C8H14N2O/c1-5(9)4-8-6(2)7(3)11-10-8/h5H,4,9H2,1-3H3
InChIKeyHBALOSQYKIWIDI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.18
Rot. Bonds2

About 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine

1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine (PubChem CID 82416563) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
PubChem CID82416563
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
SMILESCc1onc(CC(C)N)c1C
InChIInChI=1S/C8H14N2O/c1-5(9)4-8-6(2)7(3)11-10-8/h5H,4,9H2,1-3H3
InChIKeyHBALOSQYKIWIDI-UHFFFAOYSA-N
XLogP1.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine (CID 82416563) is 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine is Cc1onc(CC(C)N)c1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine?
The InChIKey is HBALOSQYKIWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(9)4-8-6(2)7(3)11-10-8/h5H,4,9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine?
1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine has a molecular weight of 154.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine is sourced from PubChem (CID 82416563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).