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

C23H25N5O3 — CID 154960770

IUPAC3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ncnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O3/c1-15(2)20-13-30-23(29)28(20)22-25-14-24-21(27-22)26-16(3)17-9-11-19(12-10-17)31-18-7-5-4-6-8-18/h4-12,14-16,20H,13H2,1-3H3,(H,24,25,26,27)/t16-,20?/m0/s1
InChIKeyOOOJKNABSBKHDG-DJZRFWRSSA-N
MW419.49 g/mol
LogP4.82
Rot. Bonds7

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

3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 154960770) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID154960770
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ncnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O3/c1-15(2)20-13-30-23(29)28(20)22-25-14-24-21(27-22)26-16(3)17-9-11-19(12-10-17)31-18-7-5-4-6-8-18/h4-12,14-16,20H,13H2,1-3H3,(H,24,25,26,27)/t16-,20?/m0/s1
InChIKeyOOOJKNABSBKHDG-DJZRFWRSSA-N
XLogP4.82
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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
(4S)-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349525
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
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
3-[2-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420
(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
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489738
3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130274237
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)-3-[2-[1-[4-(oxan-4-yloxy)phenyl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489992

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 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) is 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ncnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OOOJKNABSBKHDG-DJZRFWRSSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(2)20-13-30-23(29)28(20)22-25-14-24-21(27-22)26-16(3)17-9-11-19(12-10-17)31-18-7-5-4-6-8-18/h4-12,14-16,20H,13H2,1-3H3,(H,24,25,26,27)/t16-,20?/m0/s1.
What are the key properties of 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 419.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).