(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

C15H20N6O3 — CID 89489837

IUPAC(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
SMILESCc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(19-12)17-9(3)13-18-10(4)20-24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,19)/t9?,11-/m1/s1
InChIKeySHHIOSORWYOVTI-HCCKASOXSA-N
MW332.36 g/mol
LogP2.32
Rot. Bonds5

About (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

(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 (PubChem CID 89489837) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89489837
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name(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
SMILESCc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(19-12)17-9(3)13-18-10(4)20-24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,19)/t9?,11-/m1/s1
InChIKeySHHIOSORWYOVTI-HCCKASOXSA-N
XLogP2.32
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1.
What is the InChIKey of (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?
The InChIKey is SHHIOSORWYOVTI-HCCKASOXSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(19-12)17-9(3)13-18-10(4)20-24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,19)/t9?,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 332.36 g/mol, XLogP of 2.32, 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-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).