(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

C18H26N6O3 — CID 89489935

IUPAC(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
SMILESCC(C)Cc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C18H26N6O3/c1-10(2)8-14-21-16(27-23-14)12(5)20-17-19-7-6-15(22-17)24-13(11(3)4)9-26-18(24)25/h6-7,10-13H,8-9H2,1-5H3,(H,19,20,22)/t12?,13-/m1/s1
InChIKeyGQBGZBAWFLWCIO-ZGTCLIOFSA-N
MW374.45 g/mol
LogP3.21
Rot. Bonds7

About (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

(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 (PubChem CID 89489935) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89489935
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name(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
SMILESCC(C)Cc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C18H26N6O3/c1-10(2)8-14-21-16(27-23-14)12(5)20-17-19-7-6-15(22-17)24-13(11(3)4)9-26-18(24)25/h6-7,10-13H,8-9H2,1-5H3,(H,19,20,22)/t12?,13-/m1/s1
InChIKeyGQBGZBAWFLWCIO-ZGTCLIOFSA-N
XLogP3.21
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)Cc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1.
What is the InChIKey of (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?
The InChIKey is GQBGZBAWFLWCIO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-10(2)8-14-21-16(27-23-14)12(5)20-17-19-7-6-15(22-17)24-13(11(3)4)9-26-18(24)25/h6-7,10-13H,8-9H2,1-5H3,(H,19,20,22)/t12?,13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 374.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 89489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).