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

C19H18FN3O3 — CID 75410999

IUPAC4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccc(F)cc1)COC3
InChIInChI=1S/C19H18FN3O3/c1-25-15-6-7-16-17(8-15)23-14(10-26-11-18(23)22-16)9-21-19(24)12-2-4-13(20)5-3-12/h2-8,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRETYXWBIOZTSNX-AWEZNQCLSA-N
MW355.37 g/mol
LogP2.69
Rot. Bonds4

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

4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide (PubChem CID 75410999) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
PubChem CID75410999
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
SMILESCOc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccc(F)cc1)COC3
InChIInChI=1S/C19H18FN3O3/c1-25-15-6-7-16-17(8-15)23-14(10-26-11-18(23)22-16)9-21-19(24)12-2-4-13(20)5-3-12/h2-8,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRETYXWBIOZTSNX-AWEZNQCLSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide (CID 75410999) is 4-fluoro-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 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-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)c1ccc(F)cc1)COC3.
What is the InChIKey of 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
The InChIKey is RETYXWBIOZTSNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-15-6-7-16-17(8-15)23-14(10-26-11-18(23)22-16)9-21-19(24)12-2-4-13(20)5-3-12/h2-8,14H,9-11H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide?
4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 75410999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).