(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C20H18FN3O2 — CID 125125757

IUPAC(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCc1cc(NC(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)ccc1F
InChIInChI=1S/C20H18FN3O2/c1-13-9-15(7-8-16(13)21)23-20(25)19-17-11-26-18(10-24(17)12-22-19)14-5-3-2-4-6-14/h2-9,12,18H,10-11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyAAQNIQBUURBEHE-SFHVURJKSA-N
MW351.38 g/mol
LogP3.85
Rot. Bonds3

About (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125125757) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID125125757
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCc1cc(NC(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)ccc1F
InChIInChI=1S/C20H18FN3O2/c1-13-9-15(7-8-16(13)21)23-20(25)19-17-11-26-18(10-24(17)12-22-19)14-5-3-2-4-6-14/h2-9,12,18H,10-11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyAAQNIQBUURBEHE-SFHVURJKSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744508
(6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128243
(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126419
(6R)-N-(3-fluorophenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127327
(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126540
N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91917187
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128651
N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894289
N-(3,4-difluorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744494
(6S)-6-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745107
N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889644
(6R)-N-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128122

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125125757) is (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is Cc1cc(NC(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)ccc1F.
What is the InChIKey of (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is AAQNIQBUURBEHE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-9-15(7-8-16(13)21)23-20(25)19-17-11-26-18(10-24(17)12-22-19)14-5-3-2-4-6-14/h2-9,12,18H,10-11H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125125757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).