3-(2-methylpropyl)-2,1-benzoxazol-5-ol

C11H13NO2 — CID 105444867

IUPAC3-(2-methylpropyl)-2,1-benzoxazol-5-ol
SMILESCC(C)Cc1onc2ccc(O)cc12
InChIInChI=1S/C11H13NO2/c1-7(2)5-11-9-6-8(13)3-4-10(9)12-14-11/h3-4,6-7,13H,5H2,1-2H3
InChIKeyAPMBOGRGKJVFEV-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.73
Rot. Bonds2

About 3-(2-methylpropyl)-2,1-benzoxazol-5-ol

3-(2-methylpropyl)-2,1-benzoxazol-5-ol (PubChem CID 105444867) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2,1-benzoxazol-5-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-2,1-benzoxazol-5-ol
PubChem CID105444867
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2-methylpropyl)-2,1-benzoxazol-5-ol
SMILESCC(C)Cc1onc2ccc(O)cc12
InChIInChI=1S/C11H13NO2/c1-7(2)5-11-9-6-8(13)3-4-10(9)12-14-11/h3-4,6-7,13H,5H2,1-2H3
InChIKeyAPMBOGRGKJVFEV-UHFFFAOYSA-N
XLogP2.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-2,1-benzoxazol-5-ol
CID 105436782
1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine
CID 105488356
3-[3-(methylamino)propyl]-2,1-benzoxazol-5-ol
CID 105458935
1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
3-(2-methylpropyl)-2H-indazol-6-ol
CID 136693478
CID 172851102
CID 172851102
[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68830103
3-(bromomethyl)-1,2-benzoxazol-5-ol
CID 119090322
3-chloro-4-propan-2-ylquinolin-6-ol
CID 105478564
3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
CID 84724516
4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol
CID 86626170
4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol
CID 23386461

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2,1-benzoxazol-5-ol?
The IUPAC name of 3-(2-methylpropyl)-2,1-benzoxazol-5-ol (CID 105444867) is 3-(2-methylpropyl)-2,1-benzoxazol-5-ol.
What is the SMILES notation for 3-(2-methylpropyl)-2,1-benzoxazol-5-ol?
The canonical SMILES for 3-(2-methylpropyl)-2,1-benzoxazol-5-ol is CC(C)Cc1onc2ccc(O)cc12.
What is the InChIKey of 3-(2-methylpropyl)-2,1-benzoxazol-5-ol?
The InChIKey is APMBOGRGKJVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)5-11-9-6-8(13)3-4-10(9)12-14-11/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2,1-benzoxazol-5-ol?
3-(2-methylpropyl)-2,1-benzoxazol-5-ol has a molecular weight of 191.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2,1-benzoxazol-5-ol is sourced from PubChem (CID 105444867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).