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

C13H16N2O3 — CID 136743875

IUPAC4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOC(C)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C13H16N2O3/c1-9(17-2)3-8-12-14-13(15-18-12)10-4-6-11(16)7-5-10/h4-7,9,16H,3,8H2,1-2H3
InChIKeyRMYVKPJMNIDVNZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.41
Rot. Bonds5

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

4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136743875) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136743875
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOC(C)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C13H16N2O3/c1-9(17-2)3-8-12-14-13(15-18-12)10-4-6-11(16)7-5-10/h4-7,9,16H,3,8H2,1-2H3
InChIKeyRMYVKPJMNIDVNZ-UHFFFAOYSA-N
XLogP2.41
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
2-methyl-4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 174698707
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55201837
4-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135973748
[3-[4-(1-methoxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117338078
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106950836
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 22343336

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol (CID 136743875) is 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol is COC(C)CCc1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is RMYVKPJMNIDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(17-2)3-8-12-14-13(15-18-12)10-4-6-11(16)7-5-10/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136743875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).