N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C16H23N3O — CID 106633538

IUPACN-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NCC3CCCCN3)ccc2o1
InChIInChI=1S/C16H23N3O/c1-11(2)16-19-14-9-12(6-7-15(14)20-16)18-10-13-5-3-4-8-17-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyDVXJVONGSUAYKL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.51
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 106633538) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID106633538
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NCC3CCCCN3)ccc2o1
InChIInChI=1S/C16H23N3O/c1-11(2)16-19-14-9-12(6-7-15(14)20-16)18-10-13-5-3-4-8-17-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyDVXJVONGSUAYKL-UHFFFAOYSA-N
XLogP3.51
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
CID 79731105
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
CID 82896929
N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 55140241
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
CID 167806781
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 106633538) is N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NCC3CCCCN3)ccc2o1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is DVXJVONGSUAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16-19-14-9-12(6-7-15(14)20-16)18-10-13-5-3-4-8-17-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 106633538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).