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

C25H22F2N8O — CID 162721993

IUPAC1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)Cc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C25H22F2N8O/c1-34(15-19-10-12-28-13-11-19)14-17-2-6-20(7-3-17)23-29-33-35(32-23)16-18-4-8-21(9-5-18)24-30-31-25(36-24)22(26)27/h2-13,22H,14-16H2,1H3
InChIKeyNSIXIDZGRIFZBD-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.40
Rot. Bonds9

About 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

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 (PubChem CID 162721993) has the molecular formula C25H22F2N8O and a molecular weight of 488.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
PubChem CID162721993
Molecular FormulaC25H22F2N8O
Molecular Weight488.50 g/mol
Exact Mass488.19
IUPAC Name1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)Cc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C25H22F2N8O/c1-34(15-19-10-12-28-13-11-19)14-17-2-6-20(7-3-17)23-29-33-35(32-23)16-18-4-8-21(9-5-18)24-30-31-25(36-24)22(26)27/h2-13,22H,14-16H2,1H3
InChIKeyNSIXIDZGRIFZBD-UHFFFAOYSA-N
XLogP4.40
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 162660949
2-(Difluoromethyl)-5-[3-fluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722075
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
CID 162722103
2-[2,5-Difluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722104
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
2-(Difluoromethyl)-5-[4-[(5-isoquinolin-4-yltetrazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722180
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722219
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
CID 162722231
2-(Difluoromethyl)-5-[4-[[4-(6-fluoro-2-methyl-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722232
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722236

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1ccncc1)Cc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is NSIXIDZGRIFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O/c1-34(15-19-10-12-28-13-11-19)14-17-2-6-20(7-3-17)23-29-33-35(32-23)16-18-4-8-21(9-5-18)24-30-31-25(36-24)22(26)27/h2-13,22H,14-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 488.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162721993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).