N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C19H28N6O2 — CID 29150069

IUPACN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(Cc1nc(-c2cnccn2)no1)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H28N6O2/c1-24(14-17-22-18(23-27-17)16-13-20-7-8-21-16)15-19(5-3-2-4-6-19)25-9-11-26-12-10-25/h7-8,13H,2-6,9-12,14-15H2,1H3
InChIKeyCSABLRDMGAUWQY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.99
Rot. Bonds6

About N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 29150069) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID29150069
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(Cc1nc(-c2cnccn2)no1)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H28N6O2/c1-24(14-17-22-18(23-27-17)16-13-20-7-8-21-16)15-19(5-3-2-4-6-19)25-9-11-26-12-10-25/h7-8,13H,2-6,9-12,14-15H2,1H3
InChIKeyCSABLRDMGAUWQY-UHFFFAOYSA-N
XLogP1.99
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 154819988
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-2-ylethanamine
CID 91831202
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
CID 86266090
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117
[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892368
2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91829464
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 70788942
1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 131938655
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 29150069) is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is CN(Cc1nc(-c2cnccn2)no1)CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is CSABLRDMGAUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-24(14-17-22-18(23-27-17)16-13-20-7-8-21-16)15-19(5-3-2-4-6-19)25-9-11-26-12-10-25/h7-8,13H,2-6,9-12,14-15H2,1H3.
What are the key properties of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 372.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 29150069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).