(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

C18H26N6O3 — CID 90347631

IUPAC(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
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H26N6O3/c1-10(2)12-9-26-17(25)24(12)13-7-8-19-16(21-13)20-11(3)14-22-15(23-27-14)18(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,19,20,21)/t11?,12-/m1/s1
InChIKeyBXHQDKFMZLUOQJ-PIJUOVFKSA-N
MW374.45 g/mol
LogP3.31
Rot. Bonds5

About (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

(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 (PubChem CID 90347631) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90347631
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name(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
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H26N6O3/c1-10(2)12-9-26-17(25)24(12)13-7-8-19-16(21-13)20-11(3)14-22-15(23-27-14)18(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,19,20,21)/t11?,12-/m1/s1
InChIKeyBXHQDKFMZLUOQJ-PIJUOVFKSA-N
XLogP3.31
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C(C)(C)C)no1.
What is the InChIKey of (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?
The InChIKey is BXHQDKFMZLUOQJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-10(2)12-9-26-17(25)24(12)13-7-8-19-16(21-13)20-11(3)14-22-15(23-27-14)18(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,19,20,21)/t11?,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 374.45 g/mol, XLogP of 3.31, 5 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-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).