N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide

C19H24N4O2 — CID 98854197

IUPACN-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H24N4O2/c24-19(15-4-6-16(7-5-15)23-10-8-20-14-23)21-11-18-12-22-9-2-1-3-17(22)13-25-18/h4-8,10,14,17-18H,1-3,9,11-13H2,(H,21,24)/t17-,18+/m0/s1
InChIKeyMVZOBRDLJFTRLI-ZWKOTPCHSA-N
MW340.43 g/mol
LogP1.86
Rot. Bonds4

About N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide

N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide (PubChem CID 98854197) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide
PubChem CID98854197
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H24N4O2/c24-19(15-4-6-16(7-5-15)23-10-8-20-14-23)21-11-18-12-22-9-2-1-3-17(22)13-25-18/h4-8,10,14,17-18H,1-3,9,11-13H2,(H,21,24)/t17-,18+/m0/s1
InChIKeyMVZOBRDLJFTRLI-ZWKOTPCHSA-N
XLogP1.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide with MolForge

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Related Compounds

N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 98750642
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyridine-4-carboxamide
CID 49097696
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-morpholin-4-ylbenzamide
CID 98750732
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-tert-butylbenzamide
CID 94890632
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-ethylbenzamide
CID 94822361
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyclopentyloxybenzamide
CID 49097225
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyanobenzamide
CID 49097662
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-propan-2-ylbenzamide
CID 94824932
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-cyanobenzamide
CID 94816651
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-butylbenzamide
CID 95157082

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide (CID 98854197) is N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide is O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide?
The InChIKey is MVZOBRDLJFTRLI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(15-4-6-16(7-5-15)23-10-8-20-14-23)21-11-18-12-22-9-2-1-3-17(22)13-25-18/h4-8,10,14,17-18H,1-3,9,11-13H2,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide?
N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 98854197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).