[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol

C16H23NO2 — CID 134972407

IUPAC[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CO
InChIInChI=1S/C16H23NO2/c1-10-6-11(2)14(8-18)12(3)13(10)7-15-17-16(4,5)9-19-15/h6,18H,7-9H2,1-5H3
InChIKeyUDISWBWPKJBMKY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.85
Rot. Bonds3

About [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol

[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol (PubChem CID 134972407) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol.

Molecular Properties

Compound Name[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol
PubChem CID134972407
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CO
InChIInChI=1S/C16H23NO2/c1-10-6-11(2)14(8-18)12(3)13(10)7-15-17-16(4,5)9-19-15/h6,18H,7-9H2,1-5H3
InChIKeyUDISWBWPKJBMKY-UHFFFAOYSA-N
XLogP2.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
4-Ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 134855092
3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-1,2,3,4-tetrahydro-1-naphthalenol
CID 293685
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol
CID 54552970
2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 58167758
2-(2-Ethyl-6-methyl-4-trifluoromethyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
CID 58381263
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 13433192
[3-methyl-2-[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 101767735
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
2-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 134855998

Frequently Asked Questions

What is the IUPAC name of [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol?
The IUPAC name of [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol (CID 134972407) is [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol.
What is the SMILES notation for [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol?
The canonical SMILES for [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol is Cc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CO.
What is the InChIKey of [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol?
The InChIKey is UDISWBWPKJBMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-6-11(2)14(8-18)12(3)13(10)7-15-17-16(4,5)9-19-15/h6,18H,7-9H2,1-5H3.
What are the key properties of [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol?
[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methanol is sourced from PubChem (CID 134972407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).