2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine

C12H22N2O2 — CID 65182423

IUPAC2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCc1cnc(CCNCCOC)o1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-11-10-14-12(16-11)6-7-13-8-9-15-2/h10,13H,3-9H2,1-2H3
InChIKeyUEYANSGOUSBDGK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds9

About 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine

2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 65182423) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID65182423
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCc1cnc(CCNCCOC)o1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-11-10-14-12(16-11)6-7-13-8-9-15-2/h10,13H,3-9H2,1-2H3
InChIKeyUEYANSGOUSBDGK-UHFFFAOYSA-N
XLogP1.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
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

N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 103213216
2,5-dipentyl-1,3-oxazole
CID 67264472
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
N-(2-methoxyethyl)-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 66478578
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146
N-[(5-butyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 65184198
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973

Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine (CID 65182423) is 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine is CCCCc1cnc(CCNCCOC)o1.
What is the InChIKey of 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is UEYANSGOUSBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-11-10-14-12(16-11)6-7-13-8-9-15-2/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine?
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65182423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).