2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol

C12H15NO2 — CID 116999943

IUPAC2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1nc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-8(2)9(7-14)12-13-10-5-3-4-6-11(10)15-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyOUNZYKLQJGWZSJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.56
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol

2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol (PubChem CID 116999943) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
PubChem CID116999943
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1nc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-8(2)9(7-14)12-13-10-5-3-4-6-11(10)15-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyOUNZYKLQJGWZSJ-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
2-(1,3-benzoxazol-2-yl)-3,3-dimethylbutanenitrile
CID 70633338
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
ethyl 2-(1,3-benzoxazol-2-yl)-2-sulfanylacetate
CID 121221429
(2R)-3-(1,3-benzoxazol-2-ylmethylsulfanyl)-2-methylpropan-1-ol
CID 97031002
zinc 2-(1,3-benzoxazol-2-yl)butanebis(thioate)
CID 88687444
2-(2-bromo-3,4-dimethylpentyl)-1,3-benzoxazole
CID 66460230

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol (CID 116999943) is 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol is CC(C)C(CO)c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol?
The InChIKey is OUNZYKLQJGWZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)9(7-14)12-13-10-5-3-4-6-11(10)15-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol?
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 116999943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).