(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

C16H22N6O3 — CID 90347626

IUPAC(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
SMILESCCc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C16H22N6O3/c1-5-12-19-14(25-21-12)10(4)18-15-17-7-6-13(20-15)22-11(9(2)3)8-24-16(22)23/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,20)/t10?,11-/m1/s1
InChIKeyZLPXCIWDUPDYDM-RRKGBCIJSA-N
MW346.39 g/mol
LogP2.58
Rot. Bonds6

About (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

(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 (PubChem CID 90347626) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90347626
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name(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
SMILESCCc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1
InChIInChI=1S/C16H22N6O3/c1-5-12-19-14(25-21-12)10(4)18-15-17-7-6-13(20-15)22-11(9(2)3)8-24-16(22)23/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,20)/t10?,11-/m1/s1
InChIKeyZLPXCIWDUPDYDM-RRKGBCIJSA-N
XLogP2.58
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.58
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-ethyl-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-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347626) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1noc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1.
What is the InChIKey of (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?
The InChIKey is ZLPXCIWDUPDYDM-RRKGBCIJSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-5-12-19-14(25-21-12)10(4)18-15-17-7-6-13(20-15)22-11(9(2)3)8-24-16(22)23/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,20)/t10?,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 346.39 g/mol, XLogP of 2.58, 6 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-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).