3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol

C10H15N5O2 — CID 114185876

IUPAC3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2ccno2)nn1
InChIInChI=1S/C10H15N5O2/c16-5-1-4-15-8-9(13-14-15)6-11-7-10-2-3-12-17-10/h2-3,8,11,16H,1,4-7H2
InChIKeyAQDZXYBELZOSHN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.06
Rot. Bonds7

About 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 114185876) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID114185876
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2ccno2)nn1
InChIInChI=1S/C10H15N5O2/c16-5-1-4-15-8-9(13-14-15)6-11-7-10-2-3-12-17-10/h2-3,8,11,16H,1,4-7H2
InChIKeyAQDZXYBELZOSHN-UHFFFAOYSA-N
XLogP-0.06
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269867
1,1,1-trifluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-2-ol
CID 114093114
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485
3-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268569
3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268156
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268573

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (CID 114185876) is 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCc2ccno2)nn1.
What is the InChIKey of 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is AQDZXYBELZOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c16-5-1-4-15-8-9(13-14-15)6-11-7-10-2-3-12-17-10/h2-3,8,11,16H,1,4-7H2.
What are the key properties of 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 237.26 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 114185876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).