(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one

C19H16N6O2 — CID 50995200

IUPAC(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C19H16N6O2/c1-12-11-27-19(26)25(12)16-6-9-24-18(23-16)15(10-22-24)13-2-4-14(5-3-13)17-20-7-8-21-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyJDDCNKBRXLFYBX-LBPRGKRZSA-N
MW360.38 g/mol
LogP3.13
Rot. Bonds3

About (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 50995200) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID50995200
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C19H16N6O2/c1-12-11-27-19(26)25(12)16-6-9-24-18(23-16)15(10-22-24)13-2-4-14(5-3-13)17-20-7-8-21-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyJDDCNKBRXLFYBX-LBPRGKRZSA-N
XLogP3.13
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one (CID 50995200) is (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1.
What is the InChIKey of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is JDDCNKBRXLFYBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-11-27-19(26)25(12)16-6-9-24-18(23-16)15(10-22-24)13-2-4-14(5-3-13)17-20-7-8-21-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 360.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 50995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).