N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine

C17H23N3O2 — CID 75411244

IUPACN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
SMILESCc1ccc2nc3n(c2c1)[C@@H](CNC1CCOCC1)COC3
InChIInChI=1S/C17H23N3O2/c1-12-2-3-15-16(8-12)20-14(10-22-11-17(20)19-15)9-18-13-4-6-21-7-5-13/h2-3,8,13-14,18H,4-7,9-11H2,1H3/t14-/m0/s1
InChIKeyOFDRLDRYYMBODJ-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds3

About N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine

N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine (PubChem CID 75411244) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
PubChem CID75411244
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
SMILESCc1ccc2nc3n(c2c1)[C@@H](CNC1CCOCC1)COC3
InChIInChI=1S/C17H23N3O2/c1-12-2-3-15-16(8-12)20-14(10-22-11-17(20)19-15)9-18-13-4-6-21-7-5-13/h2-3,8,13-14,18H,4-7,9-11H2,1H3/t14-/m0/s1
InChIKeyOFDRLDRYYMBODJ-AWEZNQCLSA-N
XLogP2.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine (CID 75411244) is N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine is Cc1ccc2nc3n(c2c1)[C@@H](CNC1CCOCC1)COC3.
What is the InChIKey of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine?
The InChIKey is OFDRLDRYYMBODJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-2-3-15-16(8-12)20-14(10-22-11-17(20)19-15)9-18-13-4-6-21-7-5-13/h2-3,8,13-14,18H,4-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine?
N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine is sourced from PubChem (CID 75411244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).