N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C17H22N2O — CID 63447273

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CC4CCC3C4)ccc2o1
InChIInChI=1S/C17H22N2O/c1-10(2)17-19-15-9-13(5-6-16(15)20-17)18-14-8-11-3-4-12(14)7-11/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3
InChIKeyQWNMGMCWDNAAJA-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.55
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 63447273) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID63447273
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CC4CCC3C4)ccc2o1
InChIInChI=1S/C17H22N2O/c1-10(2)17-19-15-9-13(5-6-16(15)20-17)18-14-8-11-3-4-12(14)7-11/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3
InChIKeyQWNMGMCWDNAAJA-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine with MolForge

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Related Compounds

N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265
N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 55140241
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 63447273) is N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC3CC4CCC3C4)ccc2o1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is QWNMGMCWDNAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10(2)17-19-15-9-13(5-6-16(15)20-17)18-14-8-11-3-4-12(14)7-11/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 270.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 63447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).