N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

C17H25N5O — CID 110112709

IUPACN-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(CC2CCCN(Cc3cc(C)on3)CC2)cn1
InChIInChI=1S/C17H25N5O/c1-13-8-16(21-23-13)12-22-6-3-4-14(5-7-22)9-15-10-20-17(18-2)11-19-15/h8,10-11,14H,3-7,9,12H2,1-2H3,(H,18,20)
InChIKeyQGIYKTYHXXDGFF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (PubChem CID 110112709) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
PubChem CID110112709
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(CC2CCCN(Cc3cc(C)on3)CC2)cn1
InChIInChI=1S/C17H25N5O/c1-13-8-16(21-23-13)12-22-6-3-4-14(5-7-22)9-15-10-20-17(18-2)11-19-15/h8,10-11,14H,3-7,9,12H2,1-2H3,(H,18,20)
InChIKeyQGIYKTYHXXDGFF-UHFFFAOYSA-N
XLogP2.66
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine 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-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (CID 110112709) is N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is CNc1cnc(CC2CCCN(Cc3cc(C)on3)CC2)cn1.
What is the InChIKey of N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is QGIYKTYHXXDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-8-16(21-23-13)12-22-6-3-4-14(5-7-22)9-15-10-20-17(18-2)11-19-15/h8,10-11,14H,3-7,9,12H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 315.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 110112709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).