[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol

C13H15NO2 — CID 79145420

IUPAC[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol
SMILESCc1cccc(CCc2ocnc2CO)c1
InChIInChI=1S/C13H15NO2/c1-10-3-2-4-11(7-10)5-6-13-12(8-15)14-9-16-13/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyIAJXLPHZDFISPJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.26
Rot. Bonds4

About [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol

[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol (PubChem CID 79145420) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol
PubChem CID79145420
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol
SMILESCc1cccc(CCc2ocnc2CO)c1
InChIInChI=1S/C13H15NO2/c1-10-3-2-4-11(7-10)5-6-13-12(8-15)14-9-16-13/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyIAJXLPHZDFISPJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
CID 62365708
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
CID 161002126
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
2-(3-methylphenyl)ethanolate
CID 142208639
5-[2-(3-bromophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
CID 82094491
1-butyl-3-methylbenzene;ethane;propane
CID 142068173

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol (CID 79145420) is [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol is Cc1cccc(CCc2ocnc2CO)c1.
What is the InChIKey of [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is IAJXLPHZDFISPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-3-2-4-11(7-10)5-6-13-12(8-15)14-9-16-13/h2-4,7,9,15H,5-6,8H2,1H3.
What are the key properties of [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol?
[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79145420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).