(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

C17H22N6O3 — CID 89489823

IUPAC(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
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C2CC2)no1
InChIInChI=1S/C17H22N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-10(3)15-21-14(22-26-15)11-4-5-11/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,12-/m1/s1
InChIKeyWJWKZWMICAWIME-TVKKRMFBSA-N
MW358.40 g/mol
LogP2.89
Rot. Bonds6

About (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

(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 (PubChem CID 89489823) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89489823
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name(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
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C2CC2)no1
InChIInChI=1S/C17H22N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-10(3)15-21-14(22-26-15)11-4-5-11/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,12-/m1/s1
InChIKeyWJWKZWMICAWIME-TVKKRMFBSA-N
XLogP2.89
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc(C2CC2)no1.
What is the InChIKey of (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?
The InChIKey is WJWKZWMICAWIME-TVKKRMFBSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-9(2)12-8-25-17(24)23(12)13-6-7-18-16(20-13)19-10(3)15-21-14(22-26-15)11-4-5-11/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 358.40 g/mol, XLogP of 2.89, 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-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).