1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol

C10H13N3O3 — CID 106398102

IUPAC1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccco2)no1
InChIInChI=1S/C10H13N3O3/c1-7-12-10(13-16-7)6-11-5-8(14)9-3-2-4-15-9/h2-4,8,11,14H,5-6H2,1H3
InChIKeyXOWSBSUEPBALDF-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.79
Rot. Bonds5

About 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol

1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol (PubChem CID 106398102) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
PubChem CID106398102
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccco2)no1
InChIInChI=1S/C10H13N3O3/c1-7-12-10(13-16-7)6-11-5-8(14)9-3-2-4-15-9/h2-4,8,11,14H,5-6H2,1H3
InChIKeyXOWSBSUEPBALDF-UHFFFAOYSA-N
XLogP0.79
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 106398455
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol (CID 106398102) is 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol is Cc1nc(CNCC(O)c2ccco2)no1.
What is the InChIKey of 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The InChIKey is XOWSBSUEPBALDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-12-10(13-16-7)6-11-5-8(14)9-3-2-4-15-9/h2-4,8,11,14H,5-6H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol has a molecular weight of 223.23 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 106398102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).