[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol

C12H17NO2 — CID 82112971

IUPAC[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol
SMILESCc1cccc(C2OC(CO)CN2C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-10(6-9)12-13(2)7-11(8-14)15-12/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyUPZKTBMYNAEQIB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.32
Rot. Bonds2

About [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol

[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol (PubChem CID 82112971) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol
PubChem CID82112971
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol
SMILESCc1cccc(C2OC(CO)CN2C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-10(6-9)12-13(2)7-11(8-14)15-12/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyUPZKTBMYNAEQIB-UHFFFAOYSA-N
XLogP1.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
CID 82116914
[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol
CID 82124365
[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
CID 54327905
[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
CID 82125010
[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722290
[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol
CID 125494670
4-(chloromethyl)-2-(3-methylphenyl)-1,3-dioxolane
CID 79022072
2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
CID 170012396
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol (CID 82112971) is [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol is Cc1cccc(C2OC(CO)CN2C)c1.
What is the InChIKey of [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol?
The InChIKey is UPZKTBMYNAEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-3-5-10(6-9)12-13(2)7-11(8-14)15-12/h3-6,11-12,14H,7-8H2,1-2H3.
What are the key properties of [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol?
[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82112971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).