(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol

C26H25NO2 — CID 5473368

IUPAC(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H25NO2/c1-25(2)19-29-24(27-25)23(18-20-12-6-3-7-13-20)26(28,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,28H,19H2,1-2H3/b23-18-
InChIKeyVFSNQIIBICVZGN-NKFKGCMQSA-N
MW383.49 g/mol
LogP5.21
Rot. Bonds5

About (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol

(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol (PubChem CID 5473368) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
PubChem CID5473368
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H25NO2/c1-25(2)19-29-24(27-25)23(18-20-12-6-3-7-13-20)26(28,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,28H,19H2,1-2H3/b23-18-
InChIKeyVFSNQIIBICVZGN-NKFKGCMQSA-N
XLogP5.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol (CID 5473368) is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol.
What is the SMILES notation for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The canonical SMILES for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol is CC1(C)COC(/C(=C/c2ccccc2)C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The InChIKey is VFSNQIIBICVZGN-NKFKGCMQSA-N. The full InChI is InChI=1S/C26H25NO2/c1-25(2)19-29-24(27-25)23(18-20-12-6-3-7-13-20)26(28,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,28H,19H2,1-2H3/b23-18-.
What are the key properties of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol has a molecular weight of 383.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol is sourced from PubChem (CID 5473368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).