(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H20N6O3S — CID 89479575

IUPAC(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1
InChIInChI=1S/C15H20N6O3S/c1-8(2)10-7-23-15(22)21(10)11-5-6-16-13(18-11)17-9(3)12-19-20-14(24-12)25-4/h5-6,8-10H,7H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1
InChIKeyQBQWINYZTZZDNK-VHSXEESVSA-N
MW364.43 g/mol
LogP2.74
Rot. Bonds6

About (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89479575) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89479575
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1
InChIInChI=1S/C15H20N6O3S/c1-8(2)10-7-23-15(22)21(10)11-5-6-16-13(18-11)17-9(3)12-19-20-14(24-12)25-4/h5-6,8-10H,7H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1
InChIKeyQBQWINYZTZZDNK-VHSXEESVSA-N
XLogP2.74
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]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-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89479575) is (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CSc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QBQWINYZTZZDNK-VHSXEESVSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-8(2)10-7-23-15(22)21(10)11-5-6-16-13(18-11)17-9(3)12-19-20-14(24-12)25-4/h5-6,8-10H,7H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 364.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89479575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).