4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol

C15H20N2O3 — CID 43504099

IUPAC4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
SMILESCCc1noc(COc2ccc(CCC(C)O)cc2)n1
InChIInChI=1S/C15H20N2O3/c1-3-14-16-15(20-17-14)10-19-13-8-6-12(7-9-13)5-4-11(2)18/h6-9,11,18H,3-5,10H2,1-2H3
InChIKeyOKDJFJHPBWEKDE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds7

About 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol

4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol (PubChem CID 43504099) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
PubChem CID43504099
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
SMILESCCc1noc(COc2ccc(CCC(C)O)cc2)n1
InChIInChI=1S/C15H20N2O3/c1-3-14-16-15(20-17-14)10-19-13-8-6-12(7-9-13)5-4-11(2)18/h6-9,11,18H,3-5,10H2,1-2H3
InChIKeyOKDJFJHPBWEKDE-UHFFFAOYSA-N
XLogP2.52
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
CID 43243859
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol (CID 43504099) is 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol is CCc1noc(COc2ccc(CCC(C)O)cc2)n1.
What is the InChIKey of 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The InChIKey is OKDJFJHPBWEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-14-16-15(20-17-14)10-19-13-8-6-12(7-9-13)5-4-11(2)18/h6-9,11,18H,3-5,10H2,1-2H3.
What are the key properties of 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 43504099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).