3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C20H19ClFN5O4 — CID 90416342

IUPAC3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1ncc(F)c(N2C(=O)OCC2[C@@H](C)O)n1)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClFN5O4/c1-10(18-23-8-16(31-18)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11-,15?/m1/s1
InChIKeyHEDYPYHSULZALW-MHSSMOFYSA-N
MW447.85 g/mol
LogP3.80
Rot. Bonds6

About 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90416342) has the molecular formula C20H19ClFN5O4 and a molecular weight of 447.85 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90416342
Molecular FormulaC20H19ClFN5O4
Molecular Weight447.85 g/mol
Exact Mass447.11
IUPAC Name3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1ncc(F)c(N2C(=O)OCC2[C@@H](C)O)n1)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClFN5O4/c1-10(18-23-8-16(31-18)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11-,15?/m1/s1
InChIKeyHEDYPYHSULZALW-MHSSMOFYSA-N
XLogP3.80
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[2-[[(1R)-1-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416752
3-[2-[[(1S)-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90415890
3-[2-[[(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90414278
(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
(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274480
(4R)-3-[2-[[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274481
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414618
(4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 86268801
(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-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451991
(4R)-3-[2-[[(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416053
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 89479107

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90416342) is 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@@H](Nc1ncc(F)c(N2C(=O)OCC2[C@@H](C)O)n1)c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is HEDYPYHSULZALW-MHSSMOFYSA-N. The full InChI is InChI=1S/C20H19ClFN5O4/c1-10(18-23-8-16(31-18)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11-,15?/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 447.85 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90416342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).