7-ethyl-2-propan-2-yl-1,3-benzoxazole

C12H15NO — CID 82229866

IUPAC7-ethyl-2-propan-2-yl-1,3-benzoxazole
SMILESCCc1cccc2nc(C(C)C)oc12
InChIInChI=1S/C12H15NO/c1-4-9-6-5-7-10-11(9)14-12(13-10)8(2)3/h5-8H,4H2,1-3H3
InChIKeyOEUOORSYZPMRKX-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.51
Rot. Bonds2

About 7-ethyl-2-propan-2-yl-1,3-benzoxazole

7-ethyl-2-propan-2-yl-1,3-benzoxazole (PubChem CID 82229866) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-ethyl-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-ethyl-2-propan-2-yl-1,3-benzoxazole
PubChem CID82229866
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name7-ethyl-2-propan-2-yl-1,3-benzoxazole
SMILESCCc1cccc2nc(C(C)C)oc12
InChIInChI=1S/C12H15NO/c1-4-9-6-5-7-10-11(9)14-12(13-10)8(2)3/h5-8H,4H2,1-3H3
InChIKeyOEUOORSYZPMRKX-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(2-methylpropyl)-1,3-benzoxazol-2-yl]ethanethiol
CID 90860519
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
3-methyl-N-[[(1R,2R)-2-(2-propan-2-yl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]butanamide
CID 10448368
7-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130849135
2-bromo-7-(bromomethyl)-1,3-benzoxazole
CID 118997386
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859229

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 7-ethyl-2-propan-2-yl-1,3-benzoxazole (CID 82229866) is 7-ethyl-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 7-ethyl-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 7-ethyl-2-propan-2-yl-1,3-benzoxazole is CCc1cccc2nc(C(C)C)oc12.
What is the InChIKey of 7-ethyl-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is OEUOORSYZPMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-9-6-5-7-10-11(9)14-12(13-10)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 7-ethyl-2-propan-2-yl-1,3-benzoxazole?
7-ethyl-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 189.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82229866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).