2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C17H15N5OS — CID 2998168

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-12(2)22-9-14(19-16(22)18-11)10-24-17-21-20-15(23-17)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyMIRVNUSRRUUDBP-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.69
Rot. Bonds4

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2998168) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2998168
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-12(2)22-9-14(19-16(22)18-11)10-24-17-21-20-15(23-17)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyMIRVNUSRRUUDBP-UHFFFAOYSA-N
XLogP3.69
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 2998168) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MIRVNUSRRUUDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-8-12(2)22-9-14(19-16(22)18-11)10-24-17-21-20-15(23-17)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 337.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2998168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).