1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine

C17H21N3O — CID 137482565

IUPAC1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine
SMILESc1ccc2oc(NNC3C4CC5CC(C4)CC3C5)nc2c1
InChIInChI=1S/C17H21N3O/c1-2-4-15-14(3-1)18-17(21-15)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,19H,5-9H2,(H,18,20)
InChIKeyFOYXRHIUHKLFNM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds3

About 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine

1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine (PubChem CID 137482565) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine
PubChem CID137482565
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine
SMILESc1ccc2oc(NNC3C4CC5CC(C4)CC3C5)nc2c1
InChIInChI=1S/C17H21N3O/c1-2-4-15-14(3-1)18-17(21-15)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,19H,5-9H2,(H,18,20)
InChIKeyFOYXRHIUHKLFNM-UHFFFAOYSA-N
XLogP3.57
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3-benzoxazol-2-ylamino)-1-adamantyl]methanediol
CID 122499410
N-(1,3-benzoxazol-2-ylamino)formamide
CID 15893148
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
2-(2-adamantylidenemethyl)-1,3-benzoxazole
CID 139949900
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
6-(1,3-benzoxazol-2-ylamino)-8-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 71660771
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
CID 70938203

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine?
The IUPAC name of 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine (CID 137482565) is 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine.
What is the SMILES notation for 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine?
The canonical SMILES for 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine is c1ccc2oc(NNC3C4CC5CC(C4)CC3C5)nc2c1.
What is the InChIKey of 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine?
The InChIKey is FOYXRHIUHKLFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-4-15-14(3-1)18-17(21-15)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,19H,5-9H2,(H,18,20).
What are the key properties of 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine?
1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine has a molecular weight of 283.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(1,3-benzoxazol-2-yl)hydrazine is sourced from PubChem (CID 137482565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).