5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine

C18H16F2N8O — CID 162722468

IUPAC5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1
InChIInChI=1S/C18H16F2N8O/c1-2-21-14-8-7-13(9-22-14)16-23-27-28(26-16)10-11-3-5-12(6-4-11)17-24-25-18(29-17)15(19)20/h3-9,15H,2,10H2,1H3,(H,21,22)
InChIKeyRFASEMCTBBKIJY-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.20
Rot. Bonds7

About 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine

5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine (PubChem CID 162722468) has the molecular formula C18H16F2N8O and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine
PubChem CID162722468
Molecular FormulaC18H16F2N8O
Molecular Weight398.38 g/mol
Exact Mass398.14
IUPAC Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1
InChIInChI=1S/C18H16F2N8O/c1-2-21-14-8-7-13(9-22-14)16-23-27-28(26-16)10-11-3-5-12(6-4-11)17-24-25-18(29-17)15(19)20/h3-9,15H,2,10H2,1H3,(H,21,22)
InChIKeyRFASEMCTBBKIJY-UHFFFAOYSA-N
XLogP3.20
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
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
N-[(3R)-3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]methanesulfonamide
CID 162721924
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-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722011
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
CID 162722103
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine (CID 162722468) is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine is CCNc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1.
What is the InChIKey of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine?
The InChIKey is RFASEMCTBBKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N8O/c1-2-21-14-8-7-13(9-22-14)16-23-27-28(26-16)10-11-3-5-12(6-4-11)17-24-25-18(29-17)15(19)20/h3-9,15H,2,10H2,1H3,(H,21,22).
What are the key properties of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine?
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine has a molecular weight of 398.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 162722468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).