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

C19H19N3O3 — CID 75410987

IUPACN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccccc1)COC3
InChIInChI=1S/C19H19N3O3/c1-24-15-7-8-16-17(9-15)22-14(11-25-12-18(22)21-16)10-20-19(23)13-5-3-2-4-6-13/h2-9,14H,10-12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyGQXJVWBAKMEQFL-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.55
Rot. Bonds4

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

N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide (PubChem CID 75410987) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
PubChem CID75410987
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccccc1)COC3
InChIInChI=1S/C19H19N3O3/c1-24-15-7-8-16-17(9-15)22-14(11-25-12-18(22)21-16)10-20-19(23)13-5-3-2-4-6-13/h2-9,14H,10-12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyGQXJVWBAKMEQFL-AWEZNQCLSA-N
XLogP2.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.55
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]benzamide?
The IUPAC name of N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide (CID 75410987) is N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
The canonical SMILES for N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide is COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccccc1)COC3.
What is the InChIKey of N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
The InChIKey is GQXJVWBAKMEQFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-7-8-16-17(9-15)22-14(11-25-12-18(22)21-16)10-20-19(23)13-5-3-2-4-6-13/h2-9,14H,10-12H2,1H3,(H,20,23)/t14-/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]benzamide?
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.55, 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]benzamide is sourced from PubChem (CID 75410987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).