4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide

C21H20FN3O3 — CID 75367276

IUPAC4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H20FN3O3/c1-27-19-5-3-2-4-17(19)18-12-25-11-16(28-13-20(25)24-18)10-23-21(26)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyHWXSEAZNEZUUFF-INIZCTEOSA-N
MW381.41 g/mol
LogP3.03
Rot. Bonds5

About 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide

4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide (PubChem CID 75367276) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide
PubChem CID75367276
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H20FN3O3/c1-27-19-5-3-2-4-17(19)18-12-25-11-16(28-13-20(25)24-18)10-23-21(26)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyHWXSEAZNEZUUFF-INIZCTEOSA-N
XLogP3.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide (CID 75367276) is 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide is COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide?
The InChIKey is HWXSEAZNEZUUFF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-19-5-3-2-4-17(19)18-12-25-11-16(28-13-20(25)24-18)10-23-21(26)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide?
4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide is sourced from PubChem (CID 75367276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).