(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol

C20H19NO2 — CID 852777

IUPAC(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol
SMILESCc1cc(C[C@](O)(/C=C/c2ccccc2)c2ccccc2)on1
InChIInChI=1S/C20H19NO2/c1-16-14-19(23-21-16)15-20(22,18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/b13-12+/t20-/m1/s1
InChIKeyRRIDKSXWEQOLJO-DRUFCSCSSA-N
MW305.38 g/mol
LogP4.13
Rot. Bonds5

About (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol

(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol (PubChem CID 852777) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol
PubChem CID852777
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol
SMILESCc1cc(C[C@](O)(/C=C/c2ccccc2)c2ccccc2)on1
InChIInChI=1S/C20H19NO2/c1-16-14-19(23-21-16)15-20(22,18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/b13-12+/t20-/m1/s1
InChIKeyRRIDKSXWEQOLJO-DRUFCSCSSA-N
XLogP4.13
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-1,1-diphenylethanol
CID 852788
(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol
CID 92857433
(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
CID 102156142
(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 13425598
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
3-[(1E,3R)-3-hydroxy-1-phenylhexa-1,5-dien-3-yl]benzonitrile
CID 50924177
trimethyl-[(Z)-1,1,3-triphenylprop-2-enoxy]silane
CID 11233667
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol (CID 852777) is (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol is Cc1cc(C[C@](O)(/C=C/c2ccccc2)c2ccccc2)on1.
What is the InChIKey of (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol?
The InChIKey is RRIDKSXWEQOLJO-DRUFCSCSSA-N. The full InChI is InChI=1S/C20H19NO2/c1-16-14-19(23-21-16)15-20(22,18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/b13-12+/t20-/m1/s1.
What are the key properties of (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol?
(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol has a molecular weight of 305.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 852777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).