4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide

C24H26N6O3 — CID 154960596

IUPAC4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide
SMILESCCC1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(C(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C24H26N6O3/c1-4-20-14-33-24(32)30(20)23-27-16(3)26-22(29-23)25-15(2)17-10-12-18(13-11-17)21(31)28-19-8-6-5-7-9-19/h5-13,15,20H,4,14H2,1-3H3,(H,28,31)(H,25,26,27,29)/t15-,20?/m1/s1
InChIKeyQKJOJYAXMCYTDL-IWPPFLRJSA-N
MW446.51 g/mol
LogP4.34
Rot. Bonds7

About 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide

4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide (PubChem CID 154960596) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide
PubChem CID154960596
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide
SMILESCCC1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(C(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C24H26N6O3/c1-4-20-14-33-24(32)30(20)23-27-16(3)26-22(29-23)25-15(2)17-10-12-18(13-11-17)21(31)28-19-8-6-5-7-9-19/h5-13,15,20H,4,14H2,1-3H3,(H,28,31)(H,25,26,27,29)/t15-,20?/m1/s1
InChIKeyQKJOJYAXMCYTDL-IWPPFLRJSA-N
XLogP4.34
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide with MolForge

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Related Compounds

(4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 151869553
4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylbenzamide
CID 89489924
(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591562
4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960667
(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 157194256
(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960723
4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154974845
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960652
4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960656
3-[2-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide (CID 154960596) is 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide is CCC1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(C(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide?
The InChIKey is QKJOJYAXMCYTDL-IWPPFLRJSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-4-20-14-33-24(32)30(20)23-27-16(3)26-22(29-23)25-15(2)17-10-12-18(13-11-17)21(31)28-19-8-6-5-7-9-19/h5-13,15,20H,4,14H2,1-3H3,(H,28,31)(H,25,26,27,29)/t15-,20?/m1/s1.
What are the key properties of 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide?
4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide has a molecular weight of 446.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide is sourced from PubChem (CID 154960596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).