2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole

C14H15NO — CID 122234958

IUPAC2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
SMILESc1ccc2oc(C3C4CCCCC43)nc2c1
InChIInChI=1S/C14H15NO/c1-2-6-10-9(5-1)13(10)14-15-11-7-3-4-8-12(11)16-14/h3-4,7-10,13H,1-2,5-6H2
InChIKeyXGEGXHPOUAYSCA-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.73
Rot. Bonds1

About 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole

2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole (PubChem CID 122234958) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
PubChem CID122234958
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
SMILESc1ccc2oc(C3C4CCCCC43)nc2c1
InChIInChI=1S/C14H15NO/c1-2-6-10-9(5-1)13(10)14-15-11-7-3-4-8-12(11)16-14/h3-4,7-10,13H,1-2,5-6H2
InChIKeyXGEGXHPOUAYSCA-UHFFFAOYSA-N
XLogP3.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
CID 132604219
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
CID 116999923
2-(3,4-dihydro-1,2-benzodioxin-3-yl)-1,3-benzoxazole
CID 174524376
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 139007285
2-[(2R)-1-(2-nitrophenyl)piperidin-2-yl]-1,3-benzoxazole
CID 97084440
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
CID 115309571
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylaniline
CID 20983588
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole?
The IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole (CID 122234958) is 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole is c1ccc2oc(C3C4CCCCC43)nc2c1.
What is the InChIKey of 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole?
The InChIKey is XGEGXHPOUAYSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-6-10-9(5-1)13(10)14-15-11-7-3-4-8-12(11)16-14/h3-4,7-10,13H,1-2,5-6H2.
What are the key properties of 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole?
2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole has a molecular weight of 213.28 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole is sourced from PubChem (CID 122234958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).