(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol

C16H20N2O3 — CID 71197636

IUPAC(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol
SMILESC/C=C(\O)C(CCC)Oc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C16H20N2O3/c1-4-7-15(14(19)5-2)20-13-9-6-8-12(10-13)16-17-11(3)21-18-16/h5-6,8-10,15,19H,4,7H2,1-3H3/b14-5-
InChIKeyFDPUDBKOURBMIM-RZNTYIFUSA-N
MW288.35 g/mol
LogP4.05
Rot. Bonds6

About (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol

(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol (PubChem CID 71197636) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol.

Molecular Properties

Compound Name(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol
PubChem CID71197636
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol
SMILESC/C=C(\O)C(CCC)Oc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C16H20N2O3/c1-4-7-15(14(19)5-2)20-13-9-6-8-12(10-13)16-17-11(3)21-18-16/h5-6,8-10,15,19H,4,7H2,1-3H3/b14-5-
InChIKeyFDPUDBKOURBMIM-RZNTYIFUSA-N
XLogP4.05
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860
3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 166185984
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
5-methyl-3-[3-(4-methyl-3-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 70086748
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55733747
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55733377

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol?
The IUPAC name of (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol (CID 71197636) is (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol.
What is the SMILES notation for (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol?
The canonical SMILES for (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol is C/C=C(\O)C(CCC)Oc1cccc(-c2noc(C)n2)c1.
What is the InChIKey of (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol?
The InChIKey is FDPUDBKOURBMIM-RZNTYIFUSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-7-15(14(19)5-2)20-13-9-6-8-12(10-13)16-17-11(3)21-18-16/h5-6,8-10,15,19H,4,7H2,1-3H3/b14-5-.
What are the key properties of (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol?
(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol has a molecular weight of 288.35 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol is sourced from PubChem (CID 71197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).