1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol

C14H19NO2 — CID 54101058

IUPAC1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol
SMILESCc1cc(C2=NC(C)(C)CO2)cc(C(C)O)c1
InChIInChI=1S/C14H19NO2/c1-9-5-11(10(2)16)7-12(6-9)13-15-14(3,4)8-17-13/h5-7,10,16H,8H2,1-4H3
InChIKeyNANNTQDVQWNPCN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.60
Rot. Bonds2

About 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol

1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol (PubChem CID 54101058) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol
PubChem CID54101058
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol
SMILESCc1cc(C2=NC(C)(C)CO2)cc(C(C)O)c1
InChIInChI=1S/C14H19NO2/c1-9-5-11(10(2)16)7-12(6-9)13-15-14(3,4)8-17-13/h5-7,10,16H,8H2,1-4H3
InChIKeyNANNTQDVQWNPCN-UHFFFAOYSA-N
XLogP2.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.60
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
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
(4-chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol
CID 384078
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 71149547
[2-(4-fluorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 60162863
4,5-Dihydro-4,4-dimethyl-2-M-tolyloxazole
CID 10631508
[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methanol
CID 1511084
(1S)-2-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(4-methylphenyl)ethanol
CID 12179675
(1R)-2-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-(4-methylphenyl)ethanol
CID 12179676

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol?
The IUPAC name of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol (CID 54101058) is 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol is Cc1cc(C2=NC(C)(C)CO2)cc(C(C)O)c1.
What is the InChIKey of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol?
The InChIKey is NANNTQDVQWNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-11(10(2)16)7-12(6-9)13-15-14(3,4)8-17-13/h5-7,10,16H,8H2,1-4H3.
What are the key properties of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol?
1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol has a molecular weight of 233.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol is sourced from PubChem (CID 54101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).