2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol

C18H19NO2 — CID 22733402

IUPAC2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
InChIInChI=1S/C18H19NO2/c20-14-1-2-16-17(8-14)21-18(19-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20H,3-7H2/b15-9-
InChIKeyCEAARYLECHJRSD-DHDCSXOGSA-N
MW281.35 g/mol
LogP4.37
Rot. Bonds1

About 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol

2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol (PubChem CID 22733402) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol
PubChem CID22733402
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
InChIInChI=1S/C18H19NO2/c20-14-1-2-16-17(8-14)21-18(19-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20H,3-7H2/b15-9-
InChIKeyCEAARYLECHJRSD-DHDCSXOGSA-N
XLogP4.37
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol (CID 22733402) is 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol is Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1.
What is the InChIKey of 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol?
The InChIKey is CEAARYLECHJRSD-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H19NO2/c20-14-1-2-16-17(8-14)21-18(19-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20H,3-7H2/b15-9-.
What are the key properties of 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol?
2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol has a molecular weight of 281.35 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylidenemethyl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 22733402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).