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

C8H14N2O2 — CID 82412489

IUPAC2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine
SMILESCOc1noc(C)c1C(C)(C)N
InChIInChI=1S/C8H14N2O2/c1-5-6(8(2,3)9)7(11-4)10-12-5/h9H2,1-4H3
InChIKeyCJOJPYXTEMIYNO-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.19
Rot. Bonds2

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

2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine (PubChem CID 82412489) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine
PubChem CID82412489
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine
SMILESCOc1noc(C)c1C(C)(C)N
InChIInChI=1S/C8H14N2O2/c1-5-6(8(2,3)9)7(11-4)10-12-5/h9H2,1-4H3
InChIKeyCJOJPYXTEMIYNO-UHFFFAOYSA-N
XLogP1.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine?
The IUPAC name of 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine (CID 82412489) is 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine?
The canonical SMILES for 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine is COc1noc(C)c1C(C)(C)N.
What is the InChIKey of 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine?
The InChIKey is CJOJPYXTEMIYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-6(8(2,3)9)7(11-4)10-12-5/h9H2,1-4H3.
What are the key properties of 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine?
2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine has a molecular weight of 170.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine is sourced from PubChem (CID 82412489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).