2-(2-adamantylidenemethyl)-1,3-benzoxazole

C18H19NO — CID 139949900

IUPAC2-(2-adamantylidenemethyl)-1,3-benzoxazole
SMILESC(=C1C2CC3CC(C2)CC1C3)c1nc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11/h1-4,10-14H,5-9H2/b15-10-
InChIKeyJOEMZZBXHFAOQW-GDNBJRDFSA-N
MW265.36 g/mol
LogP4.67
Rot. Bonds1

About 2-(2-adamantylidenemethyl)-1,3-benzoxazole

2-(2-adamantylidenemethyl)-1,3-benzoxazole (PubChem CID 139949900) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-adamantylidenemethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-adamantylidenemethyl)-1,3-benzoxazole
PubChem CID139949900
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(2-adamantylidenemethyl)-1,3-benzoxazole
SMILESC(=C1C2CC3CC(C2)CC1C3)c1nc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11/h1-4,10-14H,5-9H2/b15-10-
InChIKeyJOEMZZBXHFAOQW-GDNBJRDFSA-N
XLogP4.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
CID 12074272
1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine
CID 137482565
dizinc;(3Z)-3-(1,3-benzoxazol-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide;(3E)-3-(1,3-benzoxazol-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide;dichloride
CID 135584796
(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
CID 135435078
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole
CID 24852551
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
CID 12820843
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylidenemethyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-adamantylidenemethyl)-1,3-benzoxazole (CID 139949900) is 2-(2-adamantylidenemethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-adamantylidenemethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-adamantylidenemethyl)-1,3-benzoxazole is C(=C1C2CC3CC(C2)CC1C3)c1nc2ccccc2o1.
What is the InChIKey of 2-(2-adamantylidenemethyl)-1,3-benzoxazole?
The InChIKey is JOEMZZBXHFAOQW-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11/h1-4,10-14H,5-9H2/b15-10-.
What are the key properties of 2-(2-adamantylidenemethyl)-1,3-benzoxazole?
2-(2-adamantylidenemethyl)-1,3-benzoxazole has a molecular weight of 265.36 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylidenemethyl)-1,3-benzoxazole is sourced from PubChem (CID 139949900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).