6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine

C21H15F4N9O — CID 162722257

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
SMILESCN(C)c1ncc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H15F4N9O/c1-33(2)21-26-8-11-5-10(3-4-16(11)27-21)18-28-32-34(31-18)9-12-6-15(23)13(7-14(12)22)19-29-30-20(35-19)17(24)25/h3-8,17H,9H2,1-2H3
InChIKeyAEMUAXVFFBCJGT-UHFFFAOYSA-N
MW485.41 g/mol
LogP3.66
Rot. Bonds6

About 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine (PubChem CID 162722257) has the molecular formula C21H15F4N9O and a molecular weight of 485.41 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
PubChem CID162722257
Molecular FormulaC21H15F4N9O
Molecular Weight485.41 g/mol
Exact Mass485.13
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
SMILESCN(C)c1ncc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H15F4N9O/c1-33(2)21-26-8-11-5-10(3-4-16(11)27-21)18-28-32-34(31-18)9-12-6-15(23)13(7-14(12)22)19-29-30-20(35-19)17(24)25/h3-8,17H,9H2,1-2H3
InChIKeyAEMUAXVFFBCJGT-UHFFFAOYSA-N
XLogP3.66
TPSA111.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine (CID 162722257) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine.
What is the SMILES notation for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine is CN(C)c1ncc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1.
What is the InChIKey of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
The InChIKey is AEMUAXVFFBCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N9O/c1-33(2)21-26-8-11-5-10(3-4-16(11)27-21)18-28-32-34(31-18)9-12-6-15(23)13(7-14(12)22)19-29-30-20(35-19)17(24)25/h3-8,17H,9H2,1-2H3.
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine has a molecular weight of 485.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine is sourced from PubChem (CID 162722257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).