2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol

C16H16N2O3 — CID 104847382

IUPAC2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol
SMILESCc1ccoc1-c1noc(C(C)C(O)c2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-10-8-9-20-14(10)15-17-16(21-18-15)11(2)13(19)12-6-4-3-5-7-12/h3-9,11,13,19H,1-2H3
InChIKeyGVEIEJFGIUJZDQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.48
Rot. Bonds4

About 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol

2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol (PubChem CID 104847382) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol
PubChem CID104847382
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol
SMILESCc1ccoc1-c1noc(C(C)C(O)c2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-10-8-9-20-14(10)15-17-16(21-18-15)11(2)13(19)12-6-4-3-5-7-12/h3-9,11,13,19H,1-2H3
InChIKeyGVEIEJFGIUJZDQ-UHFFFAOYSA-N
XLogP3.48
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 104807574
(1S,2S)-2-methyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900335
ethyl 3-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 104798263
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 116808945
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104797778
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 104847409
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 104798239
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol (CID 104847382) is 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol is Cc1ccoc1-c1noc(C(C)C(O)c2ccccc2)n1.
What is the InChIKey of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol?
The InChIKey is GVEIEJFGIUJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-9-20-14(10)15-17-16(21-18-15)11(2)13(19)12-6-4-3-5-7-12/h3-9,11,13,19H,1-2H3.
What are the key properties of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol?
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol has a molecular weight of 284.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 104847382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).