N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine

C9H16N2O — CID 89034221

IUPACN-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine
SMILESCNCCc1nc(C(C)C)co1
InChIInChI=1S/C9H16N2O/c1-7(2)8-6-12-9(11-8)4-5-10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyQJCNWUWQMZUNRE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.56
Rot. Bonds4

About N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine

N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine (PubChem CID 89034221) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine
PubChem CID89034221
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine
SMILESCNCCc1nc(C(C)C)co1
InChIInChI=1S/C9H16N2O/c1-7(2)8-6-12-9(11-8)4-5-10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyQJCNWUWQMZUNRE-UHFFFAOYSA-N
XLogP1.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine (CID 89034221) is N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine is CNCCc1nc(C(C)C)co1.
What is the InChIKey of N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is QJCNWUWQMZUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)8-6-12-9(11-8)4-5-10-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 89034221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).