1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C11H14N2O3 — CID 103096436

IUPAC1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCc1ccc(-c2nc(C(O)CC)no2)o1
InChIInChI=1S/C11H14N2O3/c1-3-7-5-6-9(15-7)11-12-10(13-16-11)8(14)4-2/h5-6,8,14H,3-4H2,1-2H3
InChIKeyPTQRCUXEOAPNHJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.34
Rot. Bonds4

About 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096436) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096436
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCc1ccc(-c2nc(C(O)CC)no2)o1
InChIInChI=1S/C11H14N2O3/c1-3-7-5-6-9(15-7)11-12-10(13-16-11)8(14)4-2/h5-6,8,14H,3-4H2,1-2H3
InChIKeyPTQRCUXEOAPNHJ-UHFFFAOYSA-N
XLogP2.34
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635674
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79084815
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096104
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096254
1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096111
1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325210
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096203
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096362
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096436) is 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCc1ccc(-c2nc(C(O)CC)no2)o1.
What is the InChIKey of 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is PTQRCUXEOAPNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-7-5-6-9(15-7)11-12-10(13-16-11)8(14)4-2/h5-6,8,14H,3-4H2,1-2H3.
What are the key properties of 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).