2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole

C18H12F2N4OS — CID 162722510

IUPAC2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)s3)cc2)o1
InChIInChI=1S/C18H12F2N4OS/c19-15(20)17-23-22-16(25-17)12-8-6-11(7-9-12)10-14-21-24-18(26-14)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyUVVYTNYFIDNIIY-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.78
Rot. Bonds5

About 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722510) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722510
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Name2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)s3)cc2)o1
InChIInChI=1S/C18H12F2N4OS/c19-15(20)17-23-22-16(25-17)12-8-6-11(7-9-12)10-14-21-24-18(26-14)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyUVVYTNYFIDNIIY-UHFFFAOYSA-N
XLogP4.78
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 126507243
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
phenyl N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylcarbamate
CID 140894046
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylsulfanylaniline
CID 145239313
2-(difluoromethyl)-5-[5-[(4-phenyltriazol-1-yl)methyl]-2-pyridinyl]-1,3,4-oxadiazole
CID 162767602
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
2-(difluoromethyl)-5-[4-[[4-(3-fluorophenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722537
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylhydroxylamine
CID 126545799
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole (CID 162722510) is 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)s3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is UVVYTNYFIDNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c19-15(20)17-23-22-16(25-17)12-8-6-11(7-9-12)10-14-21-24-18(26-14)13-4-2-1-3-5-13/h1-9,15H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 370.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).