2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

C17H12F2N4O2S — CID 51141982

IUPAC2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1
InChIInChI=1S/C17H12F2N4O2S/c18-16(19)24-13-6-4-11(5-7-13)15-21-22-17(25-15)26-10-12-9-23-8-2-1-3-14(23)20-12/h1-9,16H,10H2
InChIKeyUPUCIZHJRDWTBV-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.28
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 51141982) has the molecular formula C17H12F2N4O2S and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID51141982
Molecular FormulaC17H12F2N4O2S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1
InChIInChI=1S/C17H12F2N4O2S/c18-16(19)24-13-6-4-11(5-7-13)15-21-22-17(25-15)26-10-12-9-23-8-2-1-3-14(23)20-12/h1-9,16H,10H2
InChIKeyUPUCIZHJRDWTBV-UHFFFAOYSA-N
XLogP4.28
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78762664
2-[4-(difluoromethoxy)phenyl]-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 78835041
2-[[5-[4-(difluoromethoxy)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307643
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 17458845
2-[4-(difluoromethoxy)phenyl]-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 55631559
2-[4-(difluoromethoxy)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 78765758
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112787109
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 78765982
1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
CID 111466958
4-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557932
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 51141995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 51141982) is 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is FC(F)Oc1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is UPUCIZHJRDWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2S/c18-16(19)24-13-6-4-11(5-7-13)15-21-22-17(25-15)26-10-12-9-23-8-2-1-3-14(23)20-12/h1-9,16H,10H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 374.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 51141982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).