N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine

C18H25N3O2 — CID 162798412

IUPACN-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine
SMILESCOc1ccc2nc3n(c2c1)C(CNC1CCCCC1)COC3
InChIInChI=1S/C18H25N3O2/c1-22-15-7-8-16-17(9-15)21-14(11-23-12-18(21)20-16)10-19-13-5-3-2-4-6-13/h7-9,13-14,19H,2-6,10-12H2,1H3
InChIKeyKXYGXQKVUBKGSQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.04
Rot. Bonds4

About N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine

N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine (PubChem CID 162798412) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine
PubChem CID162798412
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine
SMILESCOc1ccc2nc3n(c2c1)C(CNC1CCCCC1)COC3
InChIInChI=1S/C18H25N3O2/c1-22-15-7-8-16-17(9-15)21-14(11-23-12-18(21)20-16)10-19-13-5-3-2-4-6-13/h7-9,13-14,19H,2-6,10-12H2,1H3
InChIKeyKXYGXQKVUBKGSQ-UHFFFAOYSA-N
XLogP3.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine with MolForge

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Related Compounds

N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]methanesulfonamide
CID 75411002
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 75411042
1-[4-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methylamino]piperidin-1-yl]ethanone
CID 75411085
N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
CID 75411244
N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine
CID 163088966
1-[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75411044
4-[[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methylamino]methyl]benzonitrile
CID 162798484
4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
CID 162854652
N-[[(4S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
CID 75411224
N-[4-[[(4-acetamidophenyl)methyl-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]amino]methyl]phenyl]acetamide
CID 75410831
methyl 4-[(oxan-4-ylamino)methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate
CID 162797882
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 162994637

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine (CID 162798412) is N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine is COc1ccc2nc3n(c2c1)C(CNC1CCCCC1)COC3.
What is the InChIKey of N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine?
The InChIKey is KXYGXQKVUBKGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-22-15-7-8-16-17(9-15)21-14(11-23-12-18(21)20-16)10-19-13-5-3-2-4-6-13/h7-9,13-14,19H,2-6,10-12H2,1H3.
What are the key properties of N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine?
N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine has a molecular weight of 315.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 162798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).