2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine

C9H16N2O2 — CID 62335676

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine
SMILESCNCCOCc1nc(C)c(C)o1
InChIInChI=1S/C9H16N2O2/c1-7-8(2)13-9(11-7)6-12-5-4-10-3/h10H,4-6H2,1-3H3
InChIKeyBOWJFCZFCWVCFT-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.03
Rot. Bonds5

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine (PubChem CID 62335676) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine
PubChem CID62335676
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine
SMILESCNCCOCc1nc(C)c(C)o1
InChIInChI=1S/C9H16N2O2/c1-7-8(2)13-9(11-7)6-12-5-4-10-3/h10H,4-6H2,1-3H3
InChIKeyBOWJFCZFCWVCFT-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
CID 64788348
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]ethanamine
CID 63020828
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylguanidine
CID 109430757
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]cyclohexan-1-amine
CID 62807213
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84771378
(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
CID 106371953
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109429456
2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole
CID 63997641
ethane;2-ethyl-4,5-dimethyl-1,3-oxazole;1-hydroperoxy-2-methoxyethane
CID 90956268

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine (CID 62335676) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine is CNCCOCc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine?
The InChIKey is BOWJFCZFCWVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-8(2)13-9(11-7)6-12-5-4-10-3/h10H,4-6H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine 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 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine is sourced from PubChem (CID 62335676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).