7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one

C16H20N2O4 — CID 25018606

IUPAC7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one
SMILESCc1nnc(C(=O)CCCCCCOc2ccc(O)cc2)o1
InChIInChI=1S/C16H20N2O4/c1-12-17-18-16(22-12)15(20)6-4-2-3-5-11-21-14-9-7-13(19)8-10-14/h7-10,19H,2-6,11H2,1H3
InChIKeyUHFAOSFWBFSXEX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.30
Rot. Bonds9

About 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one

7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one (PubChem CID 25018606) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one
PubChem CID25018606
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one
SMILESCc1nnc(C(=O)CCCCCCOc2ccc(O)cc2)o1
InChIInChI=1S/C16H20N2O4/c1-12-17-18-16(22-12)15(20)6-4-2-3-5-11-21-14-9-7-13(19)8-10-14/h7-10,19H,2-6,11H2,1H3
InChIKeyUHFAOSFWBFSXEX-UHFFFAOYSA-N
XLogP3.30
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]-6-(4-phenylmethoxyphenoxy)hexan-1-one
CID 42639085
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
CID 139088543
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-octadecoxyphenol
CID 22179059
8-(4-hydroxyphenoxy)-2-methyloctanoic acid
CID 10220978
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-[4-[10-[4-(4-methoxyphenyl)sulfonylphenoxy]decoxy]phenyl]sulfonylphenol
CID 139963560
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
CID 18183865
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The IUPAC name of 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one (CID 25018606) is 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The canonical SMILES for 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one is Cc1nnc(C(=O)CCCCCCOc2ccc(O)cc2)o1.
What is the InChIKey of 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The InChIKey is UHFAOSFWBFSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-12-17-18-16(22-12)15(20)6-4-2-3-5-11-21-14-9-7-13(19)8-10-14/h7-10,19H,2-6,11H2,1H3.
What are the key properties of 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one?
7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-1-one is sourced from PubChem (CID 25018606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).