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

C21H16F3N9O — CID 162722147

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
SMILESCN(C)c1ncc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H16F3N9O/c1-32(2)21-25-9-14-7-11(5-6-16(14)26-21)18-27-31-33(30-18)10-13-4-3-12(8-15(13)22)19-28-29-20(34-19)17(23)24/h3-9,17H,10H2,1-2H3
InChIKeyWOSNCBFCLCAVEC-UHFFFAOYSA-N
MW467.42 g/mol
LogP3.52
Rot. Bonds6

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

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine (PubChem CID 162722147) has the molecular formula C21H16F3N9O and a molecular weight of 467.42 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
PubChem CID162722147
Molecular FormulaC21H16F3N9O
Molecular Weight467.42 g/mol
Exact Mass467.14
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
SMILESCN(C)c1ncc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H16F3N9O/c1-32(2)21-25-9-14-7-11(5-6-16(14)26-21)18-27-31-33(30-18)10-13-4-3-12(8-15(13)22)19-28-29-20(34-19)17(23)24/h3-9,17H,10H2,1-2H3
InChIKeyWOSNCBFCLCAVEC-UHFFFAOYSA-N
XLogP3.52
TPSA111.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 53.52
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-fluorophenyl]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-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine (CID 162722147) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]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-fluorophenyl]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-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine is CN(C)c1ncc2cc(-c3nnn(Cc4ccc(-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-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
The InChIKey is WOSNCBFCLCAVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N9O/c1-32(2)21-25-9-14-7-11(5-6-16(14)26-21)18-27-31-33(30-18)10-13-4-3-12(8-15(13)22)19-28-29-20(34-19)17(23)24/h3-9,17H,10H2,1-2H3.
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine has a molecular weight of 467.42 g/mol, XLogP of 3.52, 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-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine is sourced from PubChem (CID 162722147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).