4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol

C17H25NO2 — CID 134905112

IUPAC4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol
SMILESCC(C)(O)CC(Cc1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C17H25NO2/c1-16(2)12-20-15(18-16)14(11-17(3,4)19)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyLTWAIRRIVAPZER-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds5

About 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol

4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol (PubChem CID 134905112) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol.

Molecular Properties

Compound Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol
PubChem CID134905112
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol
SMILESCC(C)(O)CC(Cc1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C17H25NO2/c1-16(2)12-20-15(18-16)14(11-17(3,4)19)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyLTWAIRRIVAPZER-UHFFFAOYSA-N
XLogP3.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4,5-Dihydro-2-methyl-4-[2-(4-octylphenyl)ethyl]-4-oxazolemethanol
CID 71316181
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
2-Methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
CID 135024766
2-[3-ethyl-3-(2-iodophenyl)pentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135059267
2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole
CID 135073471
4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole
CID 135085832
4,4,6-Trimethyl-2-(1-phenylpent-4-en-2-yl)-5,6-dihydro-1,3-oxazine
CID 293646

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol?
The IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol (CID 134905112) is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol.
What is the SMILES notation for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol?
The canonical SMILES for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol is CC(C)(O)CC(Cc1ccccc1)C1=NC(C)(C)CO1.
What is the InChIKey of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol?
The InChIKey is LTWAIRRIVAPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)12-20-15(18-16)14(11-17(3,4)19)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3.
What are the key properties of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol?
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol is sourced from PubChem (CID 134905112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).