2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine

C19H16F4N8O — CID 162721953

IUPAC2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2cc(F)c(-c3nnc(C(F)F)o3)cc2F)n1
InChIInChI=1S/C19H16F4N8O/c1-19(2,14-6-10(24)3-4-25-14)18-28-30-31(29-18)8-9-5-13(21)11(7-12(9)20)16-26-27-17(32-16)15(22)23/h3-7,15H,8H2,1-2H3,(H2,24,25)
InChIKeyJMRHVDYVDWGGSP-UHFFFAOYSA-N
MW448.38 g/mol
LogP3.29
Rot. Bonds6

About 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine

2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (PubChem CID 162721953) has the molecular formula C19H16F4N8O and a molecular weight of 448.38 g/mol. Its IUPAC name is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
PubChem CID162721953
Molecular FormulaC19H16F4N8O
Molecular Weight448.38 g/mol
Exact Mass448.14
IUPAC Name2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2cc(F)c(-c3nnc(C(F)F)o3)cc2F)n1
InChIInChI=1S/C19H16F4N8O/c1-19(2,14-6-10(24)3-4-25-14)18-28-30-31(29-18)8-9-5-13(21)11(7-12(9)20)16-26-27-17(32-16)15(22)23/h3-7,15H,8H2,1-2H3,(H2,24,25)
InChIKeyJMRHVDYVDWGGSP-UHFFFAOYSA-N
XLogP3.29
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
CID 162722687
2-[2,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722195
2-[2,5-difluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722104
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]tetrazol-5-yl]isoquinolin-1-amine
CID 162722641
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722374
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
CID 169049723
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzoxazol-2-one
CID 155730001
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443207
2-[4-[bromo(dideuterio)methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169049732
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The IUPAC name of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (CID 162721953) is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The canonical SMILES for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is CC(C)(c1cc(N)ccn1)c1nnn(Cc2cc(F)c(-c3nnc(C(F)F)o3)cc2F)n1.
What is the InChIKey of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The InChIKey is JMRHVDYVDWGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N8O/c1-19(2,14-6-10(24)3-4-25-14)18-28-30-31(29-18)8-9-5-13(21)11(7-12(9)20)16-26-27-17(32-16)15(22)23/h3-7,15H,8H2,1-2H3,(H2,24,25).
What are the key properties of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine has a molecular weight of 448.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is sourced from PubChem (CID 162721953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).