(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C21H20BrN3O3 — CID 125125789

IUPAC(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccccc4Br)c3CO2)cc1
InChIInChI=1S/C21H20BrN3O3/c1-27-16-8-6-14(7-9-16)19-11-25-13-24-20(18(25)12-28-19)21(26)23-10-15-4-2-3-5-17(15)22/h2-9,13,19H,10-12H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyAGHFCHAQZIVKAR-IBGZPJMESA-N
MW442.31 g/mol
LogP3.86
Rot. Bonds5

About (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125125789) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID125125789
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC Name(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccccc4Br)c3CO2)cc1
InChIInChI=1S/C21H20BrN3O3/c1-27-16-8-6-14(7-9-16)19-11-25-13-24-20(18(25)12-28-19)21(26)23-10-15-4-2-3-5-17(15)22/h2-9,13,19H,10-12H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyAGHFCHAQZIVKAR-IBGZPJMESA-N
XLogP3.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894320
(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126419
(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126799
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128987
N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894289
(6R)-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127257
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126190
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
CID 91894330
(6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127403
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
CID 125126558
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-morpholin-4-ylmethanone
CID 91894326
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125125789) is (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is COc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccccc4Br)c3CO2)cc1.
What is the InChIKey of (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is AGHFCHAQZIVKAR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20BrN3O3/c1-27-16-8-6-14(7-9-16)19-11-25-13-24-20(18(25)12-28-19)21(26)23-10-15-4-2-3-5-17(15)22/h2-9,13,19H,10-12H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 442.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125125789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).