3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol

C12H17N3O4 — CID 111113510

IUPAC3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C12H17N3O4/c16-5-1-3-15(4-6-17)8-11-13-12(14-19-11)10-2-7-18-9-10/h2,7,9,16-17H,1,3-6,8H2
InChIKeyVBJBAPMNTMEMCR-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.51
Rot. Bonds8

About 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol

3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111113510) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111113510
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C12H17N3O4/c16-5-1-3-15(4-6-17)8-11-13-12(14-19-11)10-2-7-18-9-10/h2,7,9,16-17H,1,3-6,8H2
InChIKeyVBJBAPMNTMEMCR-UHFFFAOYSA-N
XLogP0.51
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol with MolForge

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Related Compounds

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
N-butyl-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 126780658
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916477
2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006370
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol (CID 111113510) is 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)Cc1nc(-c2ccoc2)no1.
What is the InChIKey of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is VBJBAPMNTMEMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-5-1-3-15(4-6-17)8-11-13-12(14-19-11)10-2-7-18-9-10/h2,7,9,16-17H,1,3-6,8H2.
What are the key properties of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111113510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).