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

C23H17N7O2 — CID 67035250

IUPAC4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1
InChIInChI=1S/C23H17N7O2/c31-23-30(19(13-32-23)16-4-2-1-3-5-16)20-10-11-29-22(27-20)18(12-26-29)15-6-8-17(9-7-15)21-24-14-25-28-21/h1-12,14,19H,13H2,(H,24,25,28)
InChIKeyNGTIZCMWZWTSIC-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.88
Rot. Bonds4

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

4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67035250) has the molecular formula C23H17N7O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
PubChem CID67035250
Molecular FormulaC23H17N7O2
Molecular Weight423.44 g/mol
Exact Mass423.14
IUPAC Name4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1
InChIInChI=1S/C23H17N7O2/c31-23-30(19(13-32-23)16-4-2-1-3-5-16)20-10-11-29-22(27-20)18(12-26-29)15-6-8-17(9-7-15)21-24-14-25-28-21/h1-12,14,19H,13H2,(H,24,25,28)
InChIKeyNGTIZCMWZWTSIC-UHFFFAOYSA-N
XLogP3.88
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67035250) is 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1.
What is the InChIKey of 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is NGTIZCMWZWTSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O2/c31-23-30(19(13-32-23)16-4-2-1-3-5-16)20-10-11-29-22(27-20)18(12-26-29)15-6-8-17(9-7-15)21-24-14-25-28-21/h1-12,14,19H,13H2,(H,24,25,28).
What are the key properties of 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 423.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).