7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine

C17H24N2O — CID 94979355

IUPAC7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
SMILESCC(C)(C)c1cc(N)cc2nc(C3CCCCC3)oc12
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-9-12(18)10-14-15(13)20-16(19-14)11-7-5-4-6-8-11/h9-11H,4-8,18H2,1-3H3
InChIKeyGYNSHEJDMNJSMI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.76
Rot. Bonds1

About 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine

7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine (PubChem CID 94979355) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
PubChem CID94979355
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
SMILESCC(C)(C)c1cc(N)cc2nc(C3CCCCC3)oc12
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-9-12(18)10-14-15(13)20-16(19-14)11-7-5-4-6-8-11/h9-11H,4-8,18H2,1-3H3
InChIKeyGYNSHEJDMNJSMI-UHFFFAOYSA-N
XLogP4.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 82231334
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
5,7-ditert-butyl-2-cyclopropyl-1,3-benzoxazole;3,5-ditert-butylphenol
CID 159813342
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine?
The IUPAC name of 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine (CID 94979355) is 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine is CC(C)(C)c1cc(N)cc2nc(C3CCCCC3)oc12.
What is the InChIKey of 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine?
The InChIKey is GYNSHEJDMNJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)13-9-12(18)10-14-15(13)20-16(19-14)11-7-5-4-6-8-11/h9-11H,4-8,18H2,1-3H3.
What are the key properties of 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine?
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine has a molecular weight of 272.39 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 94979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).