1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine

C9H16N2O — CID 82652908

IUPAC1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine
SMILESCNCc1conc1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-9(2,3)8-7(5-10-4)6-12-11-8/h6,10H,5H2,1-4H3
InChIKeyBQSCAKBKGJGESE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds2

About 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine

1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine (PubChem CID 82652908) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine
PubChem CID82652908
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine
SMILESCNCc1conc1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-9(2,3)8-7(5-10-4)6-12-11-8/h6,10H,5H2,1-4H3
InChIKeyBQSCAKBKGJGESE-UHFFFAOYSA-N
XLogP1.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine (CID 82652908) is 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine is CNCc1conc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The InChIKey is BQSCAKBKGJGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)8-7(5-10-4)6-12-11-8/h6,10H,5H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine?
1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).