2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole

C21H15N5OS — CID 16507589

IUPAC2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)co2)cc1
InChIInChI=1S/C21H15N5OS/c1-3-7-15(8-4-1)20-25-16(12-27-20)13-28-21-18-11-24-26(19(18)22-14-23-21)17-9-5-2-6-10-17/h1-12,14H,13H2
InChIKeyOFPNVOFOHOCBNE-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.76
Rot. Bonds5

About 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole

2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 16507589) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID16507589
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)co2)cc1
InChIInChI=1S/C21H15N5OS/c1-3-7-15(8-4-1)20-25-16(12-27-20)13-28-21-18-11-24-26(19(18)22-14-23-21)17-9-5-2-6-10-17/h1-12,14H,13H2
InChIKeyOFPNVOFOHOCBNE-UHFFFAOYSA-N
XLogP4.76
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
3-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 78846673
8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 37133707
3-benzyl-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38867066
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 16507685
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55551341
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
8-methyl-2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16507616
propan-2-yl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 645916
N-phenyl-3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 55861691
N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (CID 16507589) is 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is c1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)co2)cc1.
What is the InChIKey of 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is OFPNVOFOHOCBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-3-7-15(8-4-1)20-25-16(12-27-20)13-28-21-18-11-24-26(19(18)22-14-23-21)17-9-5-2-6-10-17/h1-12,14H,13H2.
What are the key properties of 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 385.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 16507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).