N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide

C24H22F3N3O3 — CID 172543228

IUPACN-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccccc3)nc2O1
InChIInChI=1S/C24H22F3N3O3/c1-16(31)28-13-20-14-30(19-9-7-18(8-10-19)24(25,26)27)21-11-12-22(29-23(21)33-20)32-15-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,31)
InChIKeyFHEZBWZPVTWEEX-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.71
Rot. Bonds6

About N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide

N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide (PubChem CID 172543228) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide
PubChem CID172543228
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC NameN-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccccc3)nc2O1
InChIInChI=1S/C24H22F3N3O3/c1-16(31)28-13-20-14-30(19-9-7-18(8-10-19)24(25,26)27)21-11-12-22(29-23(21)33-20)32-15-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,31)
InChIKeyFHEZBWZPVTWEEX-UHFFFAOYSA-N
XLogP4.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide 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-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57028429
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide
CID 172543136
N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10435143
benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 67054838
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[(5S)-2-oxo-3-[4-(8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57040200
N-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 70195606
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
N-[[(5S)-3-[3-fluoro-4-[2-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10238856
benzyl N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16920837
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628

Frequently Asked Questions

What is the IUPAC name of N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide?
The IUPAC name of N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide (CID 172543228) is N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccccc3)nc2O1.
What is the InChIKey of N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide?
The InChIKey is FHEZBWZPVTWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-16(31)28-13-20-14-30(19-9-7-18(8-10-19)24(25,26)27)21-11-12-22(29-23(21)33-20)32-15-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,31).
What are the key properties of N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide?
N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide has a molecular weight of 457.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide is sourced from PubChem (CID 172543228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).