N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

C12H20N2O2 — CID 155799698

IUPACN-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1nc(CN(C)CC2CCCCO2)co1
InChIInChI=1S/C12H20N2O2/c1-10-13-11(9-16-10)7-14(2)8-12-5-3-4-6-15-12/h9,12H,3-8H2,1-2H3
InChIKeyIVHBMNPTJKMVEH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 155799698) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID155799698
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1nc(CN(C)CC2CCCCO2)co1
InChIInChI=1S/C12H20N2O2/c1-10-13-11(9-16-10)7-14(2)8-12-5-3-4-6-15-12/h9,12H,3-8H2,1-2H3
InChIKeyIVHBMNPTJKMVEH-UHFFFAOYSA-N
XLogP1.98
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77080814
N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 29116103
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95580774
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 124843396
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62431538
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (CID 155799698) is N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1nc(CN(C)CC2CCCCO2)co1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is IVHBMNPTJKMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-13-11(9-16-10)7-14(2)8-12-5-3-4-6-15-12/h9,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 224.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 155799698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).