3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol

C12H22N2O2 — CID 104579761

IUPAC3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ncc(C)o1
InChIInChI=1S/C12H22N2O2/c1-5-12(15,6-2)8-14-10(4)11-13-7-9(3)16-11/h7,10,14-15H,5-6,8H2,1-4H3
InChIKeyAZCVFJKWTJUZBS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.18
Rot. Bonds6

About 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol

3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 104579761) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
PubChem CID104579761
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ncc(C)o1
InChIInChI=1S/C12H22N2O2/c1-5-12(15,6-2)8-14-10(4)11-13-7-9(3)16-11/h7,10,14-15H,5-6,8H2,1-4H3
InChIKeyAZCVFJKWTJUZBS-UHFFFAOYSA-N
XLogP2.18
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol with MolForge

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Related Compounds

3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 113463232
1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
CID 104579885
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol (CID 104579761) is 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ncc(C)o1.
What is the InChIKey of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is AZCVFJKWTJUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(15,6-2)8-14-10(4)11-13-7-9(3)16-11/h7,10,14-15H,5-6,8H2,1-4H3.
What are the key properties of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol?
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 226.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 104579761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).