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

C13H24N2O4 — CID 106372748

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCOCCOCCOCCNCc1nc(C)c(C)o1
InChIInChI=1S/C13H24N2O4/c1-11-12(2)19-13(15-11)10-14-4-5-17-8-9-18-7-6-16-3/h14H,4-10H2,1-3H3
InChIKeySVSDOSZCUJUUMR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.06
Rot. Bonds11

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (PubChem CID 106372748) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
PubChem CID106372748
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCOCCOCCOCCNCc1nc(C)c(C)o1
InChIInChI=1S/C13H24N2O4/c1-11-12(2)19-13(15-11)10-14-4-5-17-8-9-18-7-6-16-3/h14H,4-10H2,1-3H3
InChIKeySVSDOSZCUJUUMR-UHFFFAOYSA-N
XLogP1.06
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-3-methylbutan-1-amine
CID 60972577
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine
CID 62335676
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103178672
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630
3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 106372373
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (CID 106372748) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is COCCOCCOCCNCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The InChIKey is SVSDOSZCUJUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11-12(2)19-13(15-11)10-14-4-5-17-8-9-18-7-6-16-3/h14H,4-10H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine has a molecular weight of 272.34 g/mol, XLogP of 1.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 106372748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).