2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C10H18N2O2 — CID 79144930

IUPAC2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1ncoc1C(C)C
InChIInChI=1S/C10H18N2O2/c1-8(2)10-9(12-7-14-10)6-11-4-5-13-3/h7-8,11H,4-6H2,1-3H3
InChIKeyIZNZXHMQCHHDGB-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.53
Rot. Bonds6

About 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 79144930) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID79144930
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1ncoc1C(C)C
InChIInChI=1S/C10H18N2O2/c1-8(2)10-9(12-7-14-10)6-11-4-5-13-3/h7-8,11H,4-6H2,1-3H3
InChIKeyIZNZXHMQCHHDGB-UHFFFAOYSA-N
XLogP1.53
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.53
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-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 107003702
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79147968
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 80642183
2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81139424
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750
N-[[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145692
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 79144930) is 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is COCCNCc1ncoc1C(C)C.
What is the InChIKey of 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is IZNZXHMQCHHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)10-9(12-7-14-10)6-11-4-5-13-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 198.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79144930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).