N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

C18H28N6O2 — CID 56897683

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCc1noc(CN(C)Cc2cc3n(n2)CCCN(CC2CCOC2)C3)n1
InChIInChI=1S/C18H28N6O2/c1-14-19-18(26-21-14)12-22(2)10-16-8-17-11-23(5-3-6-24(17)20-16)9-15-4-7-25-13-15/h8,15H,3-7,9-13H2,1-2H3
InChIKeyVEKXDQCZMQGMIF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (PubChem CID 56897683) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
PubChem CID56897683
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCc1noc(CN(C)Cc2cc3n(n2)CCCN(CC2CCOC2)C3)n1
InChIInChI=1S/C18H28N6O2/c1-14-19-18(26-21-14)12-22(2)10-16-8-17-11-23(5-3-6-24(17)20-16)9-15-4-7-25-13-15/h8,15H,3-7,9-13H2,1-2H3
InChIKeyVEKXDQCZMQGMIF-UHFFFAOYSA-N
XLogP1.45
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (CID 56897683) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is Cc1noc(CN(C)Cc2cc3n(n2)CCCN(CC2CCOC2)C3)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The InChIKey is VEKXDQCZMQGMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-14-19-18(26-21-14)12-22(2)10-16-8-17-11-23(5-3-6-24(17)20-16)9-15-4-7-25-13-15/h8,15H,3-7,9-13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine has a molecular weight of 360.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is sourced from PubChem (CID 56897683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).