(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C24H27N5O3 — CID 154591562

IUPAC(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OC[C@@H]2CC)n1
InChIInChI=1S/C24H27N5O3/c1-4-18-15-31-24(30)29(18)23-27-21(5-2)26-22(28-23)25-16(3)17-11-13-20(14-12-17)32-19-9-7-6-8-10-19/h6-14,16,18H,4-5,15H2,1-3H3,(H,25,26,27,28)/t16-,18-/m0/s1
InChIKeyRSKOUMNLVITJQZ-WMZOPIPTSA-N
MW433.51 g/mol
LogP5.13
Rot. Bonds8

About (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154591562) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154591562
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OC[C@@H]2CC)n1
InChIInChI=1S/C24H27N5O3/c1-4-18-15-31-24(30)29(18)23-27-21(5-2)26-22(28-23)25-16(3)17-11-13-20(14-12-17)32-19-9-7-6-8-10-19/h6-14,16,18H,4-5,15H2,1-3H3,(H,25,26,27,28)/t16-,18-/m0/s1
InChIKeyRSKOUMNLVITJQZ-WMZOPIPTSA-N
XLogP5.13
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one 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-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960730
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
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
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
3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 154960770
(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960791
(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
(4S)-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 150537306
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
7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 154974754
(7S)-6-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-7-propan-2-yl-4,6-diazaspiro[2.4]heptan-5-one
CID 149316465

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OC[C@@H]2CC)n1.
What is the InChIKey of (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is RSKOUMNLVITJQZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-4-18-15-31-24(30)29(18)23-27-21(5-2)26-22(28-23)25-16(3)17-11-13-20(14-12-17)32-19-9-7-6-8-10-19/h6-14,16,18H,4-5,15H2,1-3H3,(H,25,26,27,28)/t16-,18-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 433.51 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[4-ethyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154591562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).