(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C17H24N6O3 — CID 130273448

IUPAC(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C17H24N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-11(5)15-21-14(10(3)4)22-26-15/h6-7,9-12H,8H2,1-5H3,(H,18,19,20)/t11-,12-/m1/s1
InChIKeyLYSUZRSEBDIJBV-VXGBXAGGSA-N
MW360.42 g/mol
LogP3.14
Rot. Bonds6

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

(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130273448) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130273448
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C17H24N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-11(5)15-21-14(10(3)4)22-26-15/h6-7,9-12H,8H2,1-5H3,(H,18,19,20)/t11-,12-/m1/s1
InChIKeyLYSUZRSEBDIJBV-VXGBXAGGSA-N
XLogP3.14
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-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-(5-iodopyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490006
(4S)-3-[2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347626
(4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347629
(4S)-3-[2-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347630
(4S)-3-[2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347631
(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479575
(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489755
(4S)-4-propan-2-yl-3-[2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489814
(4S)-3-[2-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489823
(4S)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489837
(4S)-3-[2-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489935
(4S)-3-[2-[[(2S)-4-methylpentan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490035

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130273448) is (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LYSUZRSEBDIJBV-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-11(5)15-21-14(10(3)4)22-26-15/h6-7,9-12H,8H2,1-5H3,(H,18,19,20)/t11-,12-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).