1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

C14H15N3O3 — CID 66001189

IUPAC1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C14H15N3O3/c1-14(18,8-15)7-12-16-13(17-20-12)11-6-9-4-2-3-5-10(9)19-11/h2-6,18H,7-8,15H2,1H3
InChIKeyNAQPPMXSWFYUDL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.74
Rot. Bonds4

About 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (PubChem CID 66001189) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
PubChem CID66001189
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C14H15N3O3/c1-14(18,8-15)7-12-16-13(17-20-12)11-6-9-4-2-3-5-10(9)19-11/h2-6,18H,7-8,15H2,1H3
InChIKeyNAQPPMXSWFYUDL-UHFFFAOYSA-N
XLogP1.74
TPSA98.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63090592
2-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073618
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344483
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 63344525
1-amino-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002973
1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 115532970
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166230203
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63091297
3-(1-benzofuran-2-yl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092011

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (CID 66001189) is 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is CC(O)(CN)Cc1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The InChIKey is NAQPPMXSWFYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(18,8-15)7-12-16-13(17-20-12)11-6-9-4-2-3-5-10(9)19-11/h2-6,18H,7-8,15H2,1H3.
What are the key properties of 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol has a molecular weight of 273.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 66001189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).