2-ethyl-1,3-benzoxazole

C9H9NO — CID 23239

IUPAC2-ethyl-1,3-benzoxazole
SMILESCCc1nc2ccccc2o1
InChIInChI=1S/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKeyYPIFLXOVPCARGI-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.39
Rot. Bonds1

About 2-ethyl-1,3-benzoxazole

2-ethyl-1,3-benzoxazole (PubChem CID 23239) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-1,3-benzoxazole
PubChem CID23239
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-ethyl-1,3-benzoxazole
SMILESCCc1nc2ccccc2o1
InChIInChI=1S/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKeyYPIFLXOVPCARGI-UHFFFAOYSA-N
XLogP2.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentyl-1,3-benzoxazole
CID 23425
2-but-2-enyl-1,3-benzoxazole
CID 86020978
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-[2-bromo-2-(4-ethylphenyl)ethyl]-1,3-benzoxazole
CID 66461030
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
3-ethyl-1,4-benzoxazin-2-one
CID 86094198
2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
CID 132966346
2-(pyridin-1-ium-1-ylmethyl)-1,3-benzoxazole
CID 13398235
2-(2-bromo-4,4-dimethylpentyl)-1,3-benzoxazole
CID 66461437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-benzoxazole?
The IUPAC name of 2-ethyl-1,3-benzoxazole (CID 23239) is 2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-1,3-benzoxazole is CCc1nc2ccccc2o1.
What is the InChIKey of 2-ethyl-1,3-benzoxazole?
The InChIKey is YPIFLXOVPCARGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-benzoxazole?
2-ethyl-1,3-benzoxazole has a molecular weight of 147.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 23239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).