N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide

C23H22FN3O4 — CID 75367283

IUPACN-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4/c24-17-5-2-15(3-6-17)23(28)25-11-18-12-27-13-19(26-22(27)14-31-18)16-4-7-20-21(10-16)30-9-1-8-29-20/h2-7,10,13,18H,1,8-9,11-12,14H2,(H,25,28)/t18-/m0/s1
InChIKeyPAMWDUJGAKXLIA-SFHVURJKSA-N
MW423.44 g/mol
LogP3.18
Rot. Bonds4

About N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide

N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide (PubChem CID 75367283) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide
PubChem CID75367283
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4/c24-17-5-2-15(3-6-17)23(28)25-11-18-12-27-13-19(26-22(27)14-31-18)16-4-7-20-21(10-16)30-9-1-8-29-20/h2-7,10,13,18H,1,8-9,11-12,14H2,(H,25,28)/t18-/m0/s1
InChIKeyPAMWDUJGAKXLIA-SFHVURJKSA-N
XLogP3.18
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide with MolForge

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Related Compounds

1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 162892761
2-methoxy-N-[[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzamide
CID 75411264
N-[[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 162797942
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 63034722
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134369599
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75367582
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
N-[[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 162836771
N-[(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methyl]propan-2-amine
CID 163083142
4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
CID 126426495
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide (CID 75367283) is N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide is O=C(NC[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1)c1ccc(F)cc1.
What is the InChIKey of N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide?
The InChIKey is PAMWDUJGAKXLIA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN3O4/c24-17-5-2-15(3-6-17)23(28)25-11-18-12-27-13-19(26-22(27)14-31-18)16-4-7-20-21(10-16)30-9-1-8-29-20/h2-7,10,13,18H,1,8-9,11-12,14H2,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide?
N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide has a molecular weight of 423.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 75367283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).