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

C15H19NO2 — CID 134931420

IUPAC(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
SMILESCC1(C)COC([C@@H](O)/C=C\Cc2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)13(17)10-6-9-12-7-4-3-5-8-12/h3-8,10,13,17H,9,11H2,1-2H3/b10-6-/t13-/m0/s1
InChIKeyDCWCSZRKNVIMRK-HKBVPSITSA-N
MW245.32 g/mol
LogP2.35
Rot. Bonds4

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

(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol (PubChem CID 134931420) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
PubChem CID134931420
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
SMILESCC1(C)COC([C@@H](O)/C=C\Cc2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)13(17)10-6-9-12-7-4-3-5-8-12/h3-8,10,13,17H,9,11H2,1-2H3/b10-6-/t13-/m0/s1
InChIKeyDCWCSZRKNVIMRK-HKBVPSITSA-N
XLogP2.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
CID 10988558
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
2-Hydroxy-3-methoxy-2-methyl-5-phenyl-2H-pyrrol
CID 12407960
4,4-dimethyl-2-[1-(3-phenylprop-2-ynoxy)ethyl]-5H-1,3-oxazole
CID 10858130
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol
CID 11075659
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol
CID 11118305
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-1-phenylbut-3-en-2-ol
CID 11780227
(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
CID 102021368
2-[2-(1-Phenylethylideneamino)ethoxy]ethanol
CID 59775231
2-[2-[2-(1-Phenylethylideneamino)ethoxy]ethoxy]ethanol
CID 59775285
1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol
CID 134305233
[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethyl] hypochlorite
CID 145799906

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol?
The IUPAC name of (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol (CID 134931420) is (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol is CC1(C)COC([C@@H](O)/C=C\Cc2ccccc2)=N1.
What is the InChIKey of (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol?
The InChIKey is DCWCSZRKNVIMRK-HKBVPSITSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)13(17)10-6-9-12-7-4-3-5-8-12/h3-8,10,13,17H,9,11H2,1-2H3/b10-6-/t13-/m0/s1.
What are the key properties of (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol?
(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol is sourced from PubChem (CID 134931420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).