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

C18H25NO2 — CID 10869925

IUPAC(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(O)C(C)(C)C)=N1
InChIInChI=1S/C18H25NO2/c1-17(2,3)15(20)14(11-13-9-7-6-8-10-13)16-19-18(4,5)12-21-16/h6-11,15,20H,12H2,1-5H3/b14-11+
InChIKeyUXBOLJVVNBLRJP-SDNWHVSQSA-N
MW287.40 g/mol
LogP3.68
Rot. Bonds3

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

(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 10869925) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID10869925
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(O)C(C)(C)C)=N1
InChIInChI=1S/C18H25NO2/c1-17(2,3)15(20)14(11-13-9-7-6-8-10-13)16-19-18(4,5)12-21-16/h6-11,15,20H,12H2,1-5H3/b14-11+
InChIKeyUXBOLJVVNBLRJP-SDNWHVSQSA-N
XLogP3.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol with MolForge

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Related Compounds

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
CID 102021368
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
CID 101346509
(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
CID 102156142
cerium(4+);tetrakis(2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate);toluene
CID 139136399
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 56653219
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
CID 18429014
(3R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpent-1-yn-3-ol
CID 11780164

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol (CID 10869925) is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol is CC1(C)COC(/C(=C/c2ccccc2)C(O)C(C)(C)C)=N1.
What is the InChIKey of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is UXBOLJVVNBLRJP-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(2,3)15(20)14(11-13-9-7-6-8-10-13)16-19-18(4,5)12-21-16/h6-11,15,20H,12H2,1-5H3/b14-11+.
What are the key properties of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 287.40 g/mol, XLogP of 3.68, 3 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)-4,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 10869925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).