2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole

C15H17NO — CID 132604219

IUPAC2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
SMILESC1=C\C(c2nc3ccccc3o2)CCCCC/1
InChIInChI=1S/C15H17NO/c1-2-4-8-12(9-5-3-1)15-16-13-10-6-7-11-14(13)17-15/h4,6-8,10-12H,1-3,5,9H2/b8-4-
InChIKeyNRZDFKAZKZCMLA-YWEYNIOJSA-N
MW227.31 g/mol
LogP4.43
Rot. Bonds1

About 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole

2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole (PubChem CID 132604219) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
PubChem CID132604219
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
SMILESC1=C\C(c2nc3ccccc3o2)CCCCC/1
InChIInChI=1S/C15H17NO/c1-2-4-8-12(9-5-3-1)15-16-13-10-6-7-11-14(13)17-15/h4,6-8,10-12H,1-3,5,9H2/b8-4-
InChIKeyNRZDFKAZKZCMLA-YWEYNIOJSA-N
XLogP4.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
CID 122234958
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
CID 116999923
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743
2-(3,4-dihydro-1,2-benzodioxin-3-yl)-1,3-benzoxazole
CID 174524376
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 139007285
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866
2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
CID 54999201
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]cyclopentanamine
CID 62577459

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole (CID 132604219) is 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole is C1=C\C(c2nc3ccccc3o2)CCCCC/1.
What is the InChIKey of 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole?
The InChIKey is NRZDFKAZKZCMLA-YWEYNIOJSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-4-8-12(9-5-3-1)15-16-13-10-6-7-11-14(13)17-15/h4,6-8,10-12H,1-3,5,9H2/b8-4-.
What are the key properties of 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole?
2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole has a molecular weight of 227.31 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 132604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).