(4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H20N4O3 — CID 89489925

IUPAC(4S)-3-[2-[1-(furan-2-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)c1ccco1
InChIInChI=1S/C16H20N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11?,12-/m1/s1
InChIKeyITAHYWIZAOLLQY-PIJUOVFKSA-N
MW316.36 g/mol
LogP3.22
Rot. Bonds5

About (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489925) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489925
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(4S)-3-[2-[1-(furan-2-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)c1ccco1
InChIInChI=1S/C16H20N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11?,12-/m1/s1
InChIKeyITAHYWIZAOLLQY-PIJUOVFKSA-N
XLogP3.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489925) is (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(furan-2-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)c1ccco1.
What is the InChIKey of (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ITAHYWIZAOLLQY-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11?,12-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(furan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).