3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol

C14H18N2O3 — CID 116781614

IUPAC3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCC(CC)(OC)c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H18N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-7-6-8-11(17)9-10/h6-9,17H,4-5H2,1-3H3
InChIKeyOYJJWXWWRHZLKT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.10
Rot. Bonds5

About 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol

3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 116781614) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID116781614
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCC(CC)(OC)c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H18N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-7-6-8-11(17)9-10/h6-9,17H,4-5H2,1-3H3
InChIKeyOYJJWXWWRHZLKT-UHFFFAOYSA-N
XLogP3.10
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181
3-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845600
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116740949
5-chloro-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017728
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527456
5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116741283
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844927
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239
4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741295
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 116781614) is 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol is CCC(CC)(OC)c1noc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OYJJWXWWRHZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-7-6-8-11(17)9-10/h6-9,17H,4-5H2,1-3H3.
What are the key properties of 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 262.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 116781614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).