N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

C20H28N6O2 — CID 126919734

IUPACN-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1nnc(C2CCOCC2)o1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C20H28N6O2/c1-25(13-19-23-24-20(28-19)14-6-8-27-9-7-14)16-11-26(12-16)18-10-15-4-2-3-5-17(15)21-22-18/h10,14,16H,2-9,11-13H2,1H3
InChIKeyVILSTAJNPGHOTK-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919734) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919734
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1nnc(C2CCOCC2)o1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C20H28N6O2/c1-25(13-19-23-24-20(28-19)14-6-8-27-9-7-14)16-11-26(12-16)18-10-15-4-2-3-5-17(15)21-22-18/h10,14,16H,2-9,11-13H2,1H3
InChIKeyVILSTAJNPGHOTK-UHFFFAOYSA-N
XLogP1.95
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine with MolForge

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Related Compounds

N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919733
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919626
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919723
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126918275
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)azetidin-3-amine
CID 126917510

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (CID 126919734) is N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is CN(Cc1nnc(C2CCOCC2)o1)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is VILSTAJNPGHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-25(13-19-23-24-20(28-19)14-6-8-27-9-7-14)16-11-26(12-16)18-10-15-4-2-3-5-17(15)21-22-18/h10,14,16H,2-9,11-13H2,1H3.
What are the key properties of N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 384.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).