(2-propyl-1,3-benzoxazol-6-yl)methanol

C11H13NO2 — CID 82357761

IUPAC(2-propyl-1,3-benzoxazol-6-yl)methanol
SMILESCCCc1nc2ccc(CO)cc2o1
InChIInChI=1S/C11H13NO2/c1-2-3-11-12-9-5-4-8(7-13)6-10(9)14-11/h4-6,13H,2-3,7H2,1H3
InChIKeyBSNZHGNQXGHJPX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.27
Rot. Bonds3

About (2-propyl-1,3-benzoxazol-6-yl)methanol

(2-propyl-1,3-benzoxazol-6-yl)methanol (PubChem CID 82357761) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-propyl-1,3-benzoxazol-6-yl)methanol.

Molecular Properties

Compound Name(2-propyl-1,3-benzoxazol-6-yl)methanol
PubChem CID82357761
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2-propyl-1,3-benzoxazol-6-yl)methanol
SMILESCCCc1nc2ccc(CO)cc2o1
InChIInChI=1S/C11H13NO2/c1-2-3-11-12-9-5-4-8(7-13)6-10(9)14-11/h4-6,13H,2-3,7H2,1H3
InChIKeyBSNZHGNQXGHJPX-UHFFFAOYSA-N
XLogP2.27
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(bromomethyl)-2-butyl-1,3-benzoxazole
CID 146453858
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
[2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-6-yl]methanol
CID 82357809
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
2-[2-[6-(2-aminoethyl)-1,3-benzoxazol-2-yl]ethyl]guanidine
CID 71815806
3-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-1-phenylpropan-1-one
CID 82357898
(6-bromo-1,3-benzoxazol-2-yl)methanol
CID 119031268

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-benzoxazol-6-yl)methanol?
The IUPAC name of (2-propyl-1,3-benzoxazol-6-yl)methanol (CID 82357761) is (2-propyl-1,3-benzoxazol-6-yl)methanol.
What is the SMILES notation for (2-propyl-1,3-benzoxazol-6-yl)methanol?
The canonical SMILES for (2-propyl-1,3-benzoxazol-6-yl)methanol is CCCc1nc2ccc(CO)cc2o1.
What is the InChIKey of (2-propyl-1,3-benzoxazol-6-yl)methanol?
The InChIKey is BSNZHGNQXGHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-11-12-9-5-4-8(7-13)6-10(9)14-11/h4-6,13H,2-3,7H2,1H3.
What are the key properties of (2-propyl-1,3-benzoxazol-6-yl)methanol?
(2-propyl-1,3-benzoxazol-6-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-benzoxazol-6-yl)methanol is sourced from PubChem (CID 82357761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).