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

C18H25NO2 — CID 101238976

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
SMILESC=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-13(15-19-17(5,6)12-21-15)18(20,16(2,3)4)14-10-8-7-9-11-14/h7-11,20H,1,12H2,2-6H3
InChIKeyTWAMQKPZPCIRFP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.68
Rot. Bonds3

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol (PubChem CID 101238976) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
PubChem CID101238976
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
SMILESC=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-13(15-19-17(5,6)12-21-15)18(20,16(2,3)4)14-10-8-7-9-11-14/h7-11,20H,1,12H2,2-6H3
InChIKeyTWAMQKPZPCIRFP-UHFFFAOYSA-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

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Related Compounds

4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride
CID 45108880
4,4-dimethyl-2-(3,3,4,4-tetramethyl-2-phenyloxetan-2-yl)-5H-1,3-oxazole
CID 134880637
CID 134992078
CID 134992078
2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 18630289
[2-(4-fluorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 60162863
2-(4-(Tert-butyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 320072
2-(2-tert-Butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 13184751
[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methanol
CID 1511084
(2S)-3,3-dimethyl-1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]butan-2-ol
CID 12179687

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol (CID 101238976) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol is C=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol?
The InChIKey is TWAMQKPZPCIRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(15-19-17(5,6)12-21-15)18(20,16(2,3)4)14-10-8-7-9-11-14/h7-11,20H,1,12H2,2-6H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-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 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol is sourced from PubChem (CID 101238976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).