N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C16H20N4O — CID 106961778

IUPACN-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCCCN2c1nnc(CNC2CC2)o1
InChIInChI=1S/C16H20N4O/c1-2-7-14-12(5-1)6-3-4-10-20(14)16-19-18-15(21-16)11-17-13-8-9-13/h1-2,5,7,13,17H,3-4,6,8-11H2
InChIKeyVCNHCDLJHDADHV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds4

About N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106961778) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106961778
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCCCN2c1nnc(CNC2CC2)o1
InChIInChI=1S/C16H20N4O/c1-2-7-14-12(5-1)6-3-4-10-20(14)16-19-18-15(21-16)11-17-13-8-9-13/h1-2,5,7,13,17H,3-4,6,8-11H2
InChIKeyVCNHCDLJHDADHV-UHFFFAOYSA-N
XLogP2.80
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 106961778) is N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1ccc2c(c1)CCCCN2c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is VCNHCDLJHDADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-7-14-12(5-1)6-3-4-10-20(14)16-19-18-15(21-16)11-17-13-8-9-13/h1-2,5,7,13,17H,3-4,6,8-11H2.
What are the key properties of N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106961778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).