7-butyl-2,1-benzoxazole

C11H13NO — CID 67428244

IUPAC7-butyl-2,1-benzoxazole
SMILESCCCCc1cccc2conc12
InChIInChI=1S/C11H13NO/c1-2-3-5-9-6-4-7-10-8-13-12-11(9)10/h4,6-8H,2-3,5H2,1H3
InChIKeyHUCXIDIVGIUZNZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.17
Rot. Bonds3

About 7-butyl-2,1-benzoxazole

7-butyl-2,1-benzoxazole (PubChem CID 67428244) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-butyl-2,1-benzoxazole.

Molecular Properties

Compound Name7-butyl-2,1-benzoxazole
PubChem CID67428244
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-butyl-2,1-benzoxazole
SMILESCCCCc1cccc2conc12
InChIInChI=1S/C11H13NO/c1-2-3-5-9-6-4-7-10-8-13-12-11(9)10/h4,6-8H,2-3,5H2,1H3
InChIKeyHUCXIDIVGIUZNZ-UHFFFAOYSA-N
XLogP3.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(methylsulfonylmethyl)-2,1-benzoxazole
CID 90817262
7-butyl-1-benzofuran
CID 68789907
4-butyl-2-ethyl-1,3-benzoxazole
CID 174743684
1-butylnaphthalene;ethane
CID 142087052
4-butyl-3-methyl-1,2-oxazole
CID 11819147
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
azane;1-butylnaphthalene;methane
CID 174691035
CID 159940559
CID 159940559
7-pentyl-1-benzofuran
CID 90916397
1,2,3-tributylbenzene;hydrate
CID 172716323
1,3-dibutyl-2-ethylbenzene
CID 22713046
1-heptylphenazine;hydrochloride
CID 175352325

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2,1-benzoxazole?
The IUPAC name of 7-butyl-2,1-benzoxazole (CID 67428244) is 7-butyl-2,1-benzoxazole.
What is the SMILES notation for 7-butyl-2,1-benzoxazole?
The canonical SMILES for 7-butyl-2,1-benzoxazole is CCCCc1cccc2conc12.
What is the InChIKey of 7-butyl-2,1-benzoxazole?
The InChIKey is HUCXIDIVGIUZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-3-5-9-6-4-7-10-8-13-12-11(9)10/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 7-butyl-2,1-benzoxazole?
7-butyl-2,1-benzoxazole has a molecular weight of 175.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2,1-benzoxazole is sourced from PubChem (CID 67428244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).