2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine

C10H18N2O — CID 83828545

IUPAC2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnoc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)9-8(5-6-11-4)7-12-13-9/h7,11H,5-6H2,1-4H3
InChIKeyRYNPOABSMLWSRZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.73
Rot. Bonds3

About 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine

2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine (PubChem CID 83828545) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine
PubChem CID83828545
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnoc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)9-8(5-6-11-4)7-12-13-9/h7,11H,5-6H2,1-4H3
InChIKeyRYNPOABSMLWSRZ-UHFFFAOYSA-N
XLogP1.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine
CID 117209991
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239645
2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481356
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
CID 84652672
2-[5-[bromo(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 104632844
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol
CID 83831538
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine (CID 83828545) is 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine is CNCCc1cnoc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine?
The InChIKey is RYNPOABSMLWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)9-8(5-6-11-4)7-12-13-9/h7,11H,5-6H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine?
2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 83828545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).