N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine

C13H23N3O2 — CID 55073850

IUPACN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1cc(CN(C)C2CCOCC2)on1
InChIInChI=1S/C13H23N3O2/c1-3-14-9-11-8-13(18-15-11)10-16(2)12-4-6-17-7-5-12/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyTTWDQDJPGXZUCI-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.39
Rot. Bonds6

About N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine (PubChem CID 55073850) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
PubChem CID55073850
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1cc(CN(C)C2CCOCC2)on1
InChIInChI=1S/C13H23N3O2/c1-3-14-9-11-8-13(18-15-11)10-16(2)12-4-6-17-7-5-12/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyTTWDQDJPGXZUCI-UHFFFAOYSA-N
XLogP1.39
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
CID 62431673
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methyloxan-4-amine
CID 55073992
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62422427
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62411963
N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 79312573

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine (CID 55073850) is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine is CCNCc1cc(CN(C)C2CCOCC2)on1.
What is the InChIKey of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is TTWDQDJPGXZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-14-9-11-8-13(18-15-11)10-16(2)12-4-6-17-7-5-12/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine?
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 55073850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).