N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine

C11H20N2O2 — CID 60765583

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9-7-13-10(15-9)8-12-5-6-14-4/h7,12H,5-6,8H2,1-4H3
InChIKeyNTRIXMYYWQECKJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.71
Rot. Bonds5

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 60765583) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID60765583
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9-7-13-10(15-9)8-12-5-6-14-4/h7,12H,5-6,8H2,1-4H3
InChIKeyNTRIXMYYWQECKJ-UHFFFAOYSA-N
XLogP1.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66205624
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181670
2-methoxy-N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 66478464
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 111592647
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250
2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107975816
2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181971
N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine (CID 60765583) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is NTRIXMYYWQECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)9-7-13-10(15-9)8-12-5-6-14-4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 212.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 60765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).