3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one

C23H19F4N5O2 — CID 134274511

IUPAC3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one
SMILESCc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(-n4c([C@H](C)F)coc4=O)n3)cc2F)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-11-6-14(4-5-28-11)16-8-17(25)15(7-18(16)26)13(3)30-22-29-9-19(27)21(31-22)32-20(12(2)24)10-34-23(32)33/h4-10,12-13H,1-3H3,(H,29,30,31)/t12-,13-/m0/s1
InChIKeyWUXBRVXUCYHGND-STQMWFEESA-N
MW473.43 g/mol
LogP5.21
Rot. Bonds6

About 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one

3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one (PubChem CID 134274511) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one
PubChem CID134274511
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one
SMILESCc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(-n4c([C@H](C)F)coc4=O)n3)cc2F)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-11-6-14(4-5-28-11)16-8-17(25)15(7-18(16)26)13(3)30-22-29-9-19(27)21(31-22)32-20(12(2)24)10-34-23(32)33/h4-10,12-13H,1-3H3,(H,29,30,31)/t12-,13-/m0/s1
InChIKeyWUXBRVXUCYHGND-STQMWFEESA-N
XLogP5.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-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-[5-fluoro-2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazol-2-one
CID 129287846
3-[2-[[(1S)-1-[5-(3-chlorophenyl)-4-methylpyrimidin-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one
CID 129287645
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90415540
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90452104
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
CID 133304370
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(4-methylimidazol-1-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454356
3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 89489905
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
(4S)-3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542188
(4R)-3-[2-[[(1S)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90454335
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one?
The IUPAC name of 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one (CID 134274511) is 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one is Cc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(-n4c([C@H](C)F)coc4=O)n3)cc2F)ccn1.
What is the InChIKey of 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one?
The InChIKey is WUXBRVXUCYHGND-STQMWFEESA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-11-6-14(4-5-28-11)16-8-17(25)15(7-18(16)26)13(3)30-22-29-9-19(27)21(31-22)32-20(12(2)24)10-34-23(32)33/h4-10,12-13H,1-3H3,(H,29,30,31)/t12-,13-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one?
3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one has a molecular weight of 473.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazol-2-one is sourced from PubChem (CID 134274511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).