(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

C19H16F4N6O2 — CID 90452090

IUPAC(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cn(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H16F4N6O2/c1-10(16-7-28(9-25-16)13-3-11(21)2-12(22)4-13)26-18-24-6-15(23)17(27-18)29-14(5-20)8-31-19(29)30/h2-4,6-7,9-10,14H,5,8H2,1H3,(H,24,26,27)/t10-,14-/m0/s1
InChIKeyJWXZESLECHVDLG-HZMBPMFUSA-N
MW436.37 g/mol
LogP3.55
Rot. Bonds6

About (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 90452090) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID90452090
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC Name(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cn(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H16F4N6O2/c1-10(16-7-28(9-25-16)13-3-11(21)2-12(22)4-13)26-18-24-6-15(23)17(27-18)29-14(5-20)8-31-19(29)30/h2-4,6-7,9-10,14H,5,8H2,1H3,(H,24,26,27)/t10-,14-/m0/s1
InChIKeyJWXZESLECHVDLG-HZMBPMFUSA-N
XLogP3.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 90452090) is (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cn(-c2cc(F)cc(F)c2)cn1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is JWXZESLECHVDLG-HZMBPMFUSA-N. The full InChI is InChI=1S/C19H16F4N6O2/c1-10(16-7-28(9-25-16)13-3-11(21)2-12(22)4-13)26-18-24-6-15(23)17(27-18)29-14(5-20)8-31-19(29)30/h2-4,6-7,9-10,14H,5,8H2,1H3,(H,24,26,27)/t10-,14-/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 436.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[1-(3,5-difluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90452090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).