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

C9H16N2O2 — CID 28780758

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)noc1C
InChIInChI=1S/C9H16N2O2/c1-7-9(8(2)13-11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3
InChIKeyJNWLDIZBFGNEGA-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.03
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 28780758) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID28780758
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)noc1C
InChIInChI=1S/C9H16N2O2/c1-7-9(8(2)13-11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3
InChIKeyJNWLDIZBFGNEGA-UHFFFAOYSA-N
XLogP1.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.03
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'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404611
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 47950274
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-(4-bromophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 78943613
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28781588
N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 66349113
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine (CID 28780758) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine is COCCNCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is JNWLDIZBFGNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-9(8(2)13-11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 184.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 28780758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).