(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol

C15H17NO2 — CID 141296042

IUPAC(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol
SMILESCc1nocc1C(O)C(C)/C=C/c1ccccc1
InChIInChI=1S/C15H17NO2/c1-11(8-9-13-6-4-3-5-7-13)15(17)14-10-18-16-12(14)2/h3-11,15,17H,1-2H3/b9-8+
InChIKeyLEJOAROJRLIEQF-CMDGGOBGSA-N
MW243.31 g/mol
LogP3.37
Rot. Bonds4

About (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol

(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol (PubChem CID 141296042) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol
PubChem CID141296042
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol
SMILESCc1nocc1C(O)C(C)/C=C/c1ccccc1
InChIInChI=1S/C15H17NO2/c1-11(8-9-13-6-4-3-5-7-13)15(17)14-10-18-16-12(14)2/h3-11,15,17H,1-2H3/b9-8+
InChIKeyLEJOAROJRLIEQF-CMDGGOBGSA-N
XLogP3.37
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E)-1-(3-methyl-1,2-oxazol-4-yl)-4-(3-methylphenyl)but-3-en-1-ol
CID 141296055
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
3-phenylprop-2-enal;propan-2-ol
CID 158457423
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 102452468
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol?
The IUPAC name of (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol (CID 141296042) is (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol is Cc1nocc1C(O)C(C)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol?
The InChIKey is LEJOAROJRLIEQF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(8-9-13-6-4-3-5-7-13)15(17)14-10-18-16-12(14)2/h3-11,15,17H,1-2H3/b9-8+.
What are the key properties of (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol?
(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol has a molecular weight of 243.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 141296042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).