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

C15H10F2N8O — CID 162722442

IUPAC2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnnc3-c3ncccn3)cc2)o1
InChIInChI=1S/C15H10F2N8O/c16-11(17)15-22-21-14(26-15)10-4-2-9(3-5-10)8-25-13(20-23-24-25)12-18-6-1-7-19-12/h1-7,11H,8H2
InChIKeyPWBVTOHWHBEELC-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.17
Rot. Bonds5

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

2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722442) has the molecular formula C15H10F2N8O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722442
Molecular FormulaC15H10F2N8O
Molecular Weight356.30 g/mol
Exact Mass356.09
IUPAC Name2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnnc3-c3ncccn3)cc2)o1
InChIInChI=1S/C15H10F2N8O/c16-11(17)15-22-21-14(26-15)10-4-2-9(3-5-10)8-25-13(20-23-24-25)12-18-6-1-7-19-12/h1-7,11H,8H2
InChIKeyPWBVTOHWHBEELC-UHFFFAOYSA-N
XLogP2.17
TPSA108.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546233
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 162660949
5-[4-(2-fluorophenyl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164618499
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
7-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]quinazolin-4-amine
CID 162721888
1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162721993
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
7-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]quinazolin-4-amine
CID 162722106
2-[4-[[5-(5-Bromo-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722126
2-(Difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132
2-(Difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722139

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole (CID 162722442) is 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnnc3-c3ncccn3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is PWBVTOHWHBEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N8O/c16-11(17)15-22-21-14(26-15)10-4-2-9(3-5-10)8-25-13(20-23-24-25)12-18-6-1-7-19-12/h1-7,11H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 356.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).