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

C12H13NO2 — CID 115086764

IUPAC[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
SMILESCc1ccccc1Cc1ncc(CO)o1
InChIInChI=1S/C12H13NO2/c1-9-4-2-3-5-10(9)6-12-13-7-11(8-14)15-12/h2-5,7,14H,6,8H2,1H3
InChIKeyCMXYKBZWYBFHLC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.07
Rot. Bonds3

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

[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol (PubChem CID 115086764) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
PubChem CID115086764
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
SMILESCc1ccccc1Cc1ncc(CO)o1
InChIInChI=1S/C12H13NO2/c1-9-4-2-3-5-10(9)6-12-13-7-11(8-14)15-12/h2-5,7,14H,6,8H2,1H3
InChIKeyCMXYKBZWYBFHLC-UHFFFAOYSA-N
XLogP2.07
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115086811
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
[2-(methoxymethyl)-1,3-oxazol-5-yl]methanol
CID 165441990
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391
2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75380476
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085355
[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
CID 115085348

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol (CID 115086764) is [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol is Cc1ccccc1Cc1ncc(CO)o1.
What is the InChIKey of [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol?
The InChIKey is CMXYKBZWYBFHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-4-2-3-5-10(9)6-12-13-7-11(8-14)15-12/h2-5,7,14H,6,8H2,1H3.
What are the key properties of [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol?
[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 115086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).