N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile

C25H32N4O2 — CID 68922754

IUPACN-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
SMILESCNC.Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C23H25N3O2.C2H7N/c1-16-22(27-15-19-5-3-2-4-18(19)14-24)9-7-20-21(26-28-23(16)20)8-6-17-10-12-25-13-11-17;1-3-2/h2-5,7,9,17,25H,6,8,10-13,15H2,1H3;3H,1-2H3
InChIKeyLRPUSCHPPIREOE-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.35
Rot. Bonds6

About N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile

N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile (PubChem CID 68922754) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound NameN-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
PubChem CID68922754
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
SMILESCNC.Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C23H25N3O2.C2H7N/c1-16-22(27-15-19-5-3-2-4-18(19)14-24)9-7-20-21(26-28-23(16)20)8-6-17-10-12-25-13-11-17;1-3-2/h2-5,7,9,17,25H,6,8,10-13,15H2,1H3;3H,1-2H3
InChIKeyLRPUSCHPPIREOE-UHFFFAOYSA-N
XLogP4.35
TPSA83.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile with MolForge

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Related Compounds

4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
CID 68916941
4-[2-[6-[(2-cyanophenyl)methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68921080
tert-butyl 4-[2-[6-[(2-cyanophenyl)methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 68920817
N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
CID 68920303
4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile;N-methylmethanamine
CID 68920196
(E)-but-2-enedioic acid;bis(2-[[7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile);2-[[7-[(dimethylamino)methyl]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
CID 158806800
4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]methoxy]benzonitrile;N-methylmethanamine;dihydrochloride
CID 68920173
4-[[3-[2-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]piperidin-4-yl]ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile;N-methylmethanamine;dihydrochloride
CID 68922837
3-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile;N-methylmethanamine
CID 68919505
6-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]pyridine-3-carbonitrile;but-2-enedioic acid;N-methylmethanamine
CID 68923625
N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-(pyridin-2-ylmethoxy)-1,2-benzoxazol-7-yl]methanamine
CID 58019007
N-methylmethanamine;4-[[7-methyl-3-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-6-yl]methoxy]benzonitrile;trihydrochloride
CID 68918069

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile?
The IUPAC name of N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile (CID 68922754) is N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile.
What is the SMILES notation for N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile?
The canonical SMILES for N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile is CNC.Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCNCC3)noc12.
What is the InChIKey of N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile?
The InChIKey is LRPUSCHPPIREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C2H7N/c1-16-22(27-15-19-5-3-2-4-18(19)14-24)9-7-20-21(26-28-23(16)20)8-6-17-10-12-25-13-11-17;1-3-2/h2-5,7,9,17,25H,6,8,10-13,15H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile?
N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile has a molecular weight of 420.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 68922754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).