2-(2-methylpropoxy)-1,3-benzoxazole

C11H13NO2 — CID 122485672

IUPAC2-(2-methylpropoxy)-1,3-benzoxazole
SMILESCC(C)COc1nc2ccccc2o1
InChIInChI=1S/C11H13NO2/c1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3
InChIKeyWECPNTZYRSQGNL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-methylpropoxy)-1,3-benzoxazole

2-(2-methylpropoxy)-1,3-benzoxazole (PubChem CID 122485672) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylpropoxy)-1,3-benzoxazole
PubChem CID122485672
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2-methylpropoxy)-1,3-benzoxazole
SMILESCC(C)COc1nc2ccccc2o1
InChIInChI=1S/C11H13NO2/c1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3
InChIKeyWECPNTZYRSQGNL-UHFFFAOYSA-N
XLogP2.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-1,3-benzoxazole
CID 23395170
2-pentoxy-1,3-benzoxazole
CID 175319075
2-(1-phenylethoxy)-1,3-benzoxazole
CID 13127042
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
CID 70276790
1,3-benzoxazol-2-yl propanoate
CID 57266328
1,3-benzoxazol-2-yloxyimino-methyl-oxidoazanium
CID 58667120
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074
1,3-benzoxazol-2-yl 2-phenylpropanoate
CID 174538916
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
(E)-2-(1,3-benzoxazol-2-yl)-3-[3,5-dichloro-4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 126049021
3-(2-methylpropoxy)quinoxalin-2-amine
CID 102987688

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-1,3-benzoxazole?
The IUPAC name of 2-(2-methylpropoxy)-1,3-benzoxazole (CID 122485672) is 2-(2-methylpropoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylpropoxy)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylpropoxy)-1,3-benzoxazole is CC(C)COc1nc2ccccc2o1.
What is the InChIKey of 2-(2-methylpropoxy)-1,3-benzoxazole?
The InChIKey is WECPNTZYRSQGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-1,3-benzoxazole?
2-(2-methylpropoxy)-1,3-benzoxazole has a molecular weight of 191.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-1,3-benzoxazole is sourced from PubChem (CID 122485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).