2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol

C11H13NO2 — CID 117282404

IUPAC2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
SMILESCc1nc2ccc(C(C)CO)cc2o1
InChIInChI=1S/C11H13NO2/c1-7(6-13)9-3-4-10-11(5-9)14-8(2)12-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDHLZEEGVKKHHJC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol

2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol (PubChem CID 117282404) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
PubChem CID117282404
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
SMILESCc1nc2ccc(C(C)CO)cc2o1
InChIInChI=1S/C11H13NO2/c1-7(6-13)9-3-4-10-11(5-9)14-8(2)12-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDHLZEEGVKKHHJC-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 131325865
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
2-(dimethylamino)-2-(2-methyl-1,3-benzoxazol-6-yl)ethanethiol
CID 116908843
1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 116955902
2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol
CID 117292658

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol (CID 117282404) is 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol is Cc1nc2ccc(C(C)CO)cc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The InChIKey is DHLZEEGVKKHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(6-13)9-3-4-10-11(5-9)14-8(2)12-10/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol has a molecular weight of 191.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol is sourced from PubChem (CID 117282404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).