1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine

C8H14N2O2 — CID 82598197

IUPAC1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)on1
InChIInChI=1S/C8H14N2O2/c1-8(2,9)5-6-4-7(11-3)10-12-6/h4H,5,9H2,1-3H3
InChIKeyHWLPBSFFXCWBDU-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.96
Rot. Bonds3

About 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine

1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine (PubChem CID 82598197) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine
PubChem CID82598197
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)on1
InChIInChI=1S/C8H14N2O2/c1-8(2,9)5-6-4-7(11-3)10-12-6/h4H,5,9H2,1-3H3
InChIKeyHWLPBSFFXCWBDU-UHFFFAOYSA-N
XLogP0.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine (CID 82598197) is 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)on1.
What is the InChIKey of 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is HWLPBSFFXCWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,9)5-6-4-7(11-3)10-12-6/h4H,5,9H2,1-3H3.
What are the key properties of 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine?
1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 170.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82598197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).