N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

C14H17N3O — CID 75367320

IUPACN-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)8-15-9-13-10-17-7-6-16-14(17)11-18-13/h1-7,13,15H,8-11H2/t13-/m0/s1
InChIKeyKVQSOMWEVVOENB-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds4

About N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367320) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367320
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)8-15-9-13-10-17-7-6-16-14(17)11-18-13/h1-7,13,15H,8-11H2/t13-/m0/s1
InChIKeyKVQSOMWEVVOENB-ZDUSSCGKSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-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-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367320) is N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is c1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1.
What is the InChIKey of N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is KVQSOMWEVVOENB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)8-15-9-13-10-17-7-6-16-14(17)11-18-13/h1-7,13,15H,8-11H2/t13-/m0/s1.
What are the key properties of N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).