(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H19N7O3 — CID 67034339

IUPAC(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(N)o4)cc3)c2n1
InChIInChI=1S/C20H19N7O3/c1-11(2)15-10-29-20(28)27(15)16-7-8-26-17(23-16)14(9-22-26)12-3-5-13(6-4-12)18-24-25-19(21)30-18/h3-9,11,15H,10H2,1-2H3,(H2,21,25)/t15-/m1/s1
InChIKeyIQVHWXWKBBPMDF-OAHLLOKOSA-N
MW405.42 g/mol
LogP3.01
Rot. Bonds4

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

(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 67034339) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID67034339
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(N)o4)cc3)c2n1
InChIInChI=1S/C20H19N7O3/c1-11(2)15-10-29-20(28)27(15)16-7-8-26-17(23-16)14(9-22-26)12-3-5-13(6-4-12)18-24-25-19(21)30-18/h3-9,11,15H,10H2,1-2H3,(H2,21,25)/t15-/m1/s1
InChIKeyIQVHWXWKBBPMDF-OAHLLOKOSA-N
XLogP3.01
TPSA124.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-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-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 67034339) is (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(N)o4)cc3)c2n1.
What is the InChIKey of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IQVHWXWKBBPMDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-11(2)15-10-29-20(28)27(15)16-7-8-26-17(23-16)14(9-22-26)12-3-5-13(6-4-12)18-24-25-19(21)30-18/h3-9,11,15H,10H2,1-2H3,(H2,21,25)/t15-/m1/s1.
What are the key properties of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 405.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).