N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine

C21H32N4O2 — CID 58018671

IUPACN,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C21H32N4O2/c1-24(2)15-18-20(25-11-13-26-14-12-25)6-4-17-19(23-27-21(17)18)5-3-16-7-9-22-10-8-16/h4,6,16,22H,3,5,7-15H2,1-2H3
InChIKeyUDMDYOLVLBEYRB-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.66
Rot. Bonds6

About N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine

N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine (PubChem CID 58018671) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
PubChem CID58018671
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C21H32N4O2/c1-24(2)15-18-20(25-11-13-26-14-12-25)6-4-17-19(23-27-21(17)18)5-3-16-7-9-22-10-8-16/h4,6,16,22H,3,5,7-15H2,1-2H3
InChIKeyUDMDYOLVLBEYRB-UHFFFAOYSA-N
XLogP2.66
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine (CID 58018671) is N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine is CN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCNCC3)noc12.
What is the InChIKey of N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The InChIKey is UDMDYOLVLBEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24(2)15-18-20(25-11-13-26-14-12-25)6-4-17-19(23-27-21(17)18)5-3-16-7-9-22-10-8-16/h4,6,16,22H,3,5,7-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine has a molecular weight of 372.51 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-morpholin-4-yl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine is sourced from PubChem (CID 58018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).