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

C12H17N3O4 — CID 111112532

IUPAC3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C12H17N3O4/c16-6-2-4-15(5-7-17)9-11-13-12(14-19-11)10-3-1-8-18-10/h1,3,8,16-17H,2,4-7,9H2
InChIKeyZQFZXNFTTGYLPL-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.51
Rot. Bonds8

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

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111112532) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111112532
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C12H17N3O4/c16-6-2-4-15(5-7-17)9-11-13-12(14-19-11)10-3-1-8-18-10/h1,3,8,16-17H,2,4-7,9H2
InChIKeyZQFZXNFTTGYLPL-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-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol with MolForge

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Related Compounds

2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79193177
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111113510
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 134043607
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
CID 111462171
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol (CID 111112532) is 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)Cc1nc(-c2ccco2)no1.
What is the InChIKey of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is ZQFZXNFTTGYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-6-2-4-15(5-7-17)9-11-13-12(14-19-11)10-3-1-8-18-10/h1,3,8,16-17H,2,4-7,9H2.
What are the key properties of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol?
3-[[3-(furan-2-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-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111112532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).