N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C12H20N2O2 — CID 107003702

IUPACN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1C1CC1(C)C
InChIInChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3
InChIKeyJCMOALHOWNJICC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.92
Rot. Bonds6

About N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 107003702) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID107003702
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1C1CC1(C)C
InChIInChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3
InChIKeyJCMOALHOWNJICC-UHFFFAOYSA-N
XLogP1.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.92
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-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
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
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
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
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 80642183
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81139424
2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79147968

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 107003702) is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1ncoc1C1CC1(C)C.
What is the InChIKey of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is JCMOALHOWNJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107003702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).