6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one

C17H22N2O2 — CID 62300045

IUPAC6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(N)C3CC4CCC3C4)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-19-14-6-5-12(9-15(14)21-17(19)20)16(18)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,2-4,7-8,18H2,1H3
InChIKeyJPYXDGRLTRGLSJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.05
Rot. Bonds3

About 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one

6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 62300045) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
PubChem CID62300045
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(N)C3CC4CCC3C4)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-19-14-6-5-12(9-15(14)21-17(19)20)16(18)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,2-4,7-8,18H2,1H3
InChIKeyJPYXDGRLTRGLSJ-UHFFFAOYSA-N
XLogP3.05
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 63443953
6-[chloro-(2-methylcyclopropyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300567
6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 83148970
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981
6-(1-amino-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62677655
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
6-[chloro(oxan-4-yl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62907110
6-[amino(oxan-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63013467
6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 81331275
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888
6-[2-cyclopropyl-1-(propylamino)ethyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300740
3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979

Frequently Asked Questions

What is the IUPAC name of 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one (CID 62300045) is 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(N)C3CC4CCC3C4)ccc21.
What is the InChIKey of 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is JPYXDGRLTRGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19-14-6-5-12(9-15(14)21-17(19)20)16(18)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,2-4,7-8,18H2,1H3.
What are the key properties of 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one?
6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).