3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

C12H22N2O — CID 115084234

IUPAC3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(CC(C)(C)C)n1
InChIInChI=1S/C12H22N2O/c1-12(2,3)8-11-14-10(9-15-11)6-5-7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyHYGJIKGRFVTCKS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115084234) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
PubChem CID115084234
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(CC(C)(C)C)n1
InChIInChI=1S/C12H22N2O/c1-12(2,3)8-11-14-10(9-15-11)6-5-7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyHYGJIKGRFVTCKS-UHFFFAOYSA-N
XLogP2.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 84777762
1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115084227
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084664
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole
CID 89177733
3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 63891555
1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115084216
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (CID 115084234) is 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is CNCCCc1coc(CC(C)(C)C)n1.
What is the InChIKey of 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is HYGJIKGRFVTCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)8-11-14-10(9-15-11)6-5-7-13-4/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115084234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).