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

C17H14Cl2N6O3 — CID 71542385

IUPAC3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(Cl)cc(N2CCOC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H14Cl2N6O3/c1-9(15-23-14(24-28-15)10-2-4-11(18)5-3-10)20-16-21-12(19)8-13(22-16)25-6-7-27-17(25)26/h2-5,8-9H,6-7H2,1H3,(H,20,21,22)/t9-/m0/s1
InChIKeyFWKRVPIRNNHJBL-VIFPVBQESA-N
MW421.24 g/mol
LogP3.96
Rot. Bonds5

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

3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 71542385) has the molecular formula C17H14Cl2N6O3 and a molecular weight of 421.24 g/mol. Its IUPAC name is 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID71542385
Molecular FormulaC17H14Cl2N6O3
Molecular Weight421.24 g/mol
Exact Mass420.05
IUPAC Name3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(Cl)cc(N2CCOC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H14Cl2N6O3/c1-9(15-23-14(24-28-15)10-2-4-11(18)5-3-10)20-16-21-12(19)8-13(22-16)25-6-7-27-17(25)26/h2-5,8-9H,6-7H2,1H3,(H,20,21,22)/t9-/m0/s1
InChIKeyFWKRVPIRNNHJBL-VIFPVBQESA-N
XLogP3.96
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(4S)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71541908
(4S)-3-[2-[[(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479018
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
CID 89489907
(4S)-3-[2-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542000
(S)-4-Isopropyl-3-{2-[(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amino]-pyrimidin-4-yl}-oxazolidin-2-one
CID 71542003
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 71542384
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
(4S)-3-[2-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489817
(4S)-3-[2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489824
(4S)-3-[2-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489830
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89489888
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one
CID 89489908

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 71542385) is 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nc(Cl)cc(N2CCOC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FWKRVPIRNNHJBL-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14Cl2N6O3/c1-9(15-23-14(24-28-15)10-2-4-11(18)5-3-10)20-16-21-12(19)8-13(22-16)25-6-7-27-17(25)26/h2-5,8-9H,6-7H2,1H3,(H,20,21,22)/t9-/m0/s1.
What are the key properties of 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 421.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71542385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).