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

C26H25NO2 — CID 6521309

IUPAC(Z)-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-PTGBLXJZSA-N
MW383.49 g/mol
LogP5.21
Rot. Bonds5

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

(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol (PubChem CID 6521309) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
PubChem CID6521309
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(Z)-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-PTGBLXJZSA-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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Related Compounds

2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
CID 134898910
2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 14227330
2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
CID 58626964
3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-1,2,3,4-tetrahydro-1-naphthalenol
CID 293685
(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-5-fluorophenyl)(phenyl)methanol
CID 133052536
(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole
CID 130327674
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
[[(E,2R)-2-isocyanato-2-methylpent-3-enoxy]-diphenylmethyl]benzene
CID 11188262
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanol
CID 12856165

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The IUPAC name of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol (CID 6521309) is (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol.
What is the SMILES notation for (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The canonical SMILES for (Z)-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 (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
The InChIKey is VFSNQIIBICVZGN-PTGBLXJZSA-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 (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol?
(Z)-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 (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol is sourced from PubChem (CID 6521309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).