1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C12H21N3O2 — CID 62431704

IUPAC1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCOC(C)(C)C2)on1
InChIInChI=1S/C12H21N3O2/c1-12(2)9-15(4-5-16-12)8-11-6-10(7-13-3)14-17-11/h6,13H,4-5,7-9H2,1-3H3
InChIKeyAKPQJBQGYLKRFU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.00
Rot. Bonds4

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

1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62431704) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62431704
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCOC(C)(C)C2)on1
InChIInChI=1S/C12H21N3O2/c1-12(2)9-15(4-5-16-12)8-11-6-10(7-13-3)14-17-11/h6,13H,4-5,7-9H2,1-3H3
InChIKeyAKPQJBQGYLKRFU-UHFFFAOYSA-N
XLogP1.00
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-Trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 2738631
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
Methyl((5-methyl-1,2-oxazol-3-yl)methyl)amine
CID 23006273
1-(3-Methyl-1,2-oxazole-5-carbonyl)piperazine hydrochloride
CID 42954057
3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
N-[2-(Morpholin-4-YL)ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 22427583
5-(Methylethyl)-3-(piperazinylmethyl)isoxazole
CID 25248462
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
Tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51095599
N-methyl-2-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
CID 53498056
3-(1-Methoxypropan-2-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 53505826
2-[(3-Methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetamide
CID 53524899

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62431704) is 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(CN2CCOC(C)(C)C2)on1.
What is the InChIKey of 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is AKPQJBQGYLKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2)9-15(4-5-16-12)8-11-6-10(7-13-3)14-17-11/h6,13H,4-5,7-9H2,1-3H3.
What are the key properties of 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62431704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).