[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol

C17H25NO2 — CID 134972439

IUPAC[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol
SMILESCc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CO
InChIInChI=1S/C17H25NO2/c1-10(2)16-9-20-17(18-16)7-14-11(3)6-12(4)15(8-19)13(14)5/h6,10,16,19H,7-9H2,1-5H3/t16-/m1/s1
InChIKeyZJMAIDFUJDQXTH-MRXNPFEDSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds4

About [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol

[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol (PubChem CID 134972439) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol
PubChem CID134972439
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol
SMILESCc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CO
InChIInChI=1S/C17H25NO2/c1-10(2)16-9-20-17(18-16)7-14-11(3)6-12(4)15(8-19)13(14)5/h6,10,16,19H,7-9H2,1-5H3/t16-/m1/s1
InChIKeyZJMAIDFUJDQXTH-MRXNPFEDSA-N
XLogP3.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 134855092
[3-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-4-(trifluoromethyl)phenyl]methanol
CID 67445903
(1S)-1-(4-methylphenyl)-2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]ethanol
CID 12179673
(1R)-1-(4-methylphenyl)-2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]ethanol
CID 12179674
(S,S)-4,6-Bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene
CID 24744076
[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 101761115
[3-methyl-2-[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 101767735
(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 102276346
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 102276347
[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol
CID 134972407
(4S)-2-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 134972440
4,4-Dimethyl-2-(4'hydroxymethylbiphenyl-2-yl)oxazoline
CID 11065876

Frequently Asked Questions

What is the IUPAC name of [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol?
The IUPAC name of [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol (CID 134972439) is [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol is Cc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CO.
What is the InChIKey of [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol?
The InChIKey is ZJMAIDFUJDQXTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO2/c1-10(2)16-9-20-17(18-16)7-14-11(3)6-12(4)15(8-19)13(14)5/h6,10,16,19H,7-9H2,1-5H3/t16-/m1/s1.
What are the key properties of [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol?
[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol has a molecular weight of 275.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 134972439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).