N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine

C17H25N3O2 — CID 75411042

IUPACN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNCC(C)(C)C)COC3
InChIInChI=1S/C17H25N3O2/c1-17(2,3)11-18-8-12-9-22-10-16-19-14-6-5-13(21-4)7-15(14)20(12)16/h5-7,12,18H,8-11H2,1-4H3/t12-/m0/s1
InChIKeyBBNBKDAYGRZVON-LBPRGKRZSA-N
MW303.41 g/mol
LogP2.75
Rot. Bonds4

About N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine

N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine (PubChem CID 75411042) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
PubChem CID75411042
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNCC(C)(C)C)COC3
InChIInChI=1S/C17H25N3O2/c1-17(2,3)11-18-8-12-9-22-10-16-19-14-6-5-13(21-4)7-15(14)20(12)16/h5-7,12,18H,8-11H2,1-4H3/t12-/m0/s1
InChIKeyBBNBKDAYGRZVON-LBPRGKRZSA-N
XLogP2.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 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) is N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine is COc1ccc2nc3n(c2c1)[C@@H](CNCC(C)(C)C)COC3.
What is the InChIKey of N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is BBNBKDAYGRZVON-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)11-18-8-12-9-22-10-16-19-14-6-5-13(21-4)7-15(14)20(12)16/h5-7,12,18H,8-11H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 75411042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).