1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine

C11H20N2O2 — CID 115720217

IUPAC1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc(C(C)C)no1
InChIInChI=1S/C11H20N2O2/c1-8(2)11-5-10(15-13-11)6-12-9(3)7-14-4/h5,8-9,12H,6-7H2,1-4H3
InChIKeyWKCJOQUAXYNQFL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.92
Rot. Bonds6

About 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine

1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine (PubChem CID 115720217) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
PubChem CID115720217
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc(C(C)C)no1
InChIInChI=1S/C11H20N2O2/c1-8(2)11-5-10(15-13-11)6-12-9(3)7-14-4/h5,8-9,12H,6-7H2,1-4H3
InChIKeyWKCJOQUAXYNQFL-UHFFFAOYSA-N
XLogP1.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine (CID 115720217) is 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine is COCC(C)NCc1cc(C(C)C)no1.
What is the InChIKey of 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The InChIKey is WKCJOQUAXYNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)11-5-10(15-13-11)6-12-9(3)7-14-4/h5,8-9,12H,6-7H2,1-4H3.
What are the key properties of 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine?
1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine has a molecular weight of 212.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 115720217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).