3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C19H18ClFN6O3 — CID 89479150

IUPAC3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18ClFN6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1
InChIKeyOUHDAETVUXMOOI-JTQLQIEISA-N
MW432.84 g/mol
LogP4.23
Rot. Bonds5

About 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 89479150) has the molecular formula C19H18ClFN6O3 and a molecular weight of 432.84 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID89479150
Molecular FormulaC19H18ClFN6O3
Molecular Weight432.84 g/mol
Exact Mass432.11
IUPAC Name3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18ClFN6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1
InChIKeyOUHDAETVUXMOOI-JTQLQIEISA-N
XLogP4.23
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 89479150) is 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is C[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is OUHDAETVUXMOOI-JTQLQIEISA-N. The full InChI is InChI=1S/C19H18ClFN6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 432.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).