1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol

C16H30N2O3 — CID 106371765

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCc1ncc(C)o1
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-20-13-15(19)11-17-12-16-18-10-14(2)21-16/h10,15,17,19H,3-9,11-13H2,1-2H3
InChIKeyIVLKRLKTDFIQAY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.81
Rot. Bonds13

About 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol

1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol (PubChem CID 106371765) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
PubChem CID106371765
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCc1ncc(C)o1
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-20-13-15(19)11-17-12-16-18-10-14(2)21-16/h10,15,17,19H,3-9,11-13H2,1-2H3
InChIKeyIVLKRLKTDFIQAY-UHFFFAOYSA-N
XLogP2.81
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
1-(2-methoxyphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372231
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61013891
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
1-hexoxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989733
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol (CID 106371765) is 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNCc1ncc(C)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol?
The InChIKey is IVLKRLKTDFIQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-20-13-15(19)11-17-12-16-18-10-14(2)21-16/h10,15,17,19H,3-9,11-13H2,1-2H3.
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol?
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 2.81, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol is sourced from PubChem (CID 106371765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).