1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

C12H18N2O2 — CID 79236572

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCC1CCC=CO1
InChIInChI=1S/C12H18N2O2/c1-9-12(10(2)16-14-9)8-13-7-11-5-3-4-6-15-11/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyGFDVGFBPLHPCHN-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 79236572) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID79236572
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCC1CCC=CO1
InChIInChI=1S/C12H18N2O2/c1-9-12(10(2)16-14-9)8-13-7-11-5-3-4-6-15-11/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyGFDVGFBPLHPCHN-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124516183
1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124516182
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125172
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417485
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103255665
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 55030445
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 55030405
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 62066529

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (CID 79236572) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is Cc1noc(C)c1CNCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is GFDVGFBPLHPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(10(2)16-14-9)8-13-7-11-5-3-4-6-15-11/h4,6,11,13H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79236572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).