(4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H26N6O3 — CID 90347629

IUPAC(4S)-3-[2-[1-(3-cyclopentyl-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(C2CCCC2)no1
InChIInChI=1S/C19H26N6O3/c1-11(2)14-10-27-19(26)25(14)15-8-9-20-18(22-15)21-12(3)17-23-16(24-28-17)13-6-4-5-7-13/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,21,22)/t12?,14-/m1/s1
InChIKeyOMFJQIZYTJWITO-TYZXPVIJSA-N
MW386.46 g/mol
LogP3.67
Rot. Bonds6

About (4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347629) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (4S)-3-[2-[1-(3-cyclopentyl-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-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347629
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name(4S)-3-[2-[1-(3-cyclopentyl-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(C2CCCC2)no1
InChIInChI=1S/C19H26N6O3/c1-11(2)14-10-27-19(26)25(14)15-8-9-20-18(22-15)21-12(3)17-23-16(24-28-17)13-6-4-5-7-13/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,21,22)/t12?,14-/m1/s1
InChIKeyOMFJQIZYTJWITO-TYZXPVIJSA-N
XLogP3.67
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[1-(3-cyclopentyl-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-cyclopentyl-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-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347629) is (4S)-3-[2-[1-(3-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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(C2CCCC2)no1.
What is the InChIKey of (4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OMFJQIZYTJWITO-TYZXPVIJSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-11(2)14-10-27-19(26)25(14)15-8-9-20-18(22-15)21-12(3)17-23-16(24-28-17)13-6-4-5-7-13/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,21,22)/t12?,14-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.67, 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-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).