(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol

C13H14N2O2 — CID 142830996

IUPAC(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol
SMILESCc1nnc(-c2ccc(/C=C/CCO)cc2)o1
InChIInChI=1S/C13H14N2O2/c1-10-14-15-13(17-10)12-7-5-11(6-8-12)4-2-3-9-16/h2,4-8,16H,3,9H2,1H3/b4-2+
InChIKeyDHQKXDWLCGBMKG-DUXPYHPUSA-N
MW230.27 g/mol
LogP2.44
Rot. Bonds4

About (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol

(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol (PubChem CID 142830996) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol
PubChem CID142830996
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol
SMILESCc1nnc(-c2ccc(/C=C/CCO)cc2)o1
InChIInChI=1S/C13H14N2O2/c1-10-14-15-13(17-10)12-7-5-11(6-8-12)4-2-3-9-16/h2,4-8,16H,3,9H2,1H3/b4-2+
InChIKeyDHQKXDWLCGBMKG-DUXPYHPUSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
4-[4-(methylamino)phenyl]but-3-en-1-ol
CID 170476280
(E)-6-(4-methylphenyl)hex-5-en-1-ol
CID 14739740
(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine
CID 122596131
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
2,2-dimethyl-5-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598715
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
CID 165056405
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 70775236
3-methylbut-3-enyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75505026

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol?
The IUPAC name of (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol (CID 142830996) is (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol.
What is the SMILES notation for (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol?
The canonical SMILES for (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol is Cc1nnc(-c2ccc(/C=C/CCO)cc2)o1.
What is the InChIKey of (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol?
The InChIKey is DHQKXDWLCGBMKG-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-14-15-13(17-10)12-7-5-11(6-8-12)4-2-3-9-16/h2,4-8,16H,3,9H2,1H3/b4-2+.
What are the key properties of (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol?
(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol has a molecular weight of 230.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 142830996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).