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

C20H22N6O3 — CID 71542003

IUPAC(4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2noc(CNc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1
InChIInChI=1S/C20H22N6O3/c1-12(2)15-11-28-20(27)26(15)16-8-9-21-19(23-16)22-10-17-24-18(25-29-17)14-6-4-13(3)5-7-14/h4-9,12,15H,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
InChIKeyUYBOJEMOTUMPEY-OAHLLOKOSA-N
MW394.44 g/mol
LogP3.43
Rot. Bonds6

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

(4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 71542003) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID71542003
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name(4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2noc(CNc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1
InChIInChI=1S/C20H22N6O3/c1-12(2)15-11-28-20(27)26(15)16-8-9-21-19(23-16)22-10-17-24-18(25-29-17)14-6-4-13(3)5-7-14/h4-9,12,15H,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
InChIKeyUYBOJEMOTUMPEY-OAHLLOKOSA-N
XLogP3.43
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]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-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 71542003) is (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1ccc(-c2noc(CNc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1.
What is the InChIKey of (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UYBOJEMOTUMPEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12(2)15-11-28-20(27)26(15)16-8-9-21-19(23-16)22-10-17-24-18(25-29-17)14-6-4-13(3)5-7-14/h4-9,12,15H,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71542003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).