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

C19H11F4N9O — CID 162722227

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C19H11F4N9O/c20-12-5-11(17-28-29-18(33-17)15(22)23)13(21)4-10(12)7-32-30-16(27-31-32)8-1-2-14-9(3-8)6-25-19(24)26-14/h1-6,15H,7H2,(H2,24,25,26)
InChIKeyRIBNUXBNESSUFG-UHFFFAOYSA-N
MW457.35 g/mol
LogP3.18
Rot. Bonds5

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

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine (PubChem CID 162722227) has the molecular formula C19H11F4N9O and a molecular weight of 457.35 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine
PubChem CID162722227
Molecular FormulaC19H11F4N9O
Molecular Weight457.35 g/mol
Exact Mass457.10
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C19H11F4N9O/c20-12-5-11(17-28-29-18(33-17)15(22)23)13(21)4-10(12)7-32-30-16(27-31-32)8-1-2-14-9(3-8)6-25-19(24)26-14/h1-6,15H,7H2,(H2,24,25,26)
InChIKeyRIBNUXBNESSUFG-UHFFFAOYSA-N
XLogP3.18
TPSA134.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
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]quinazolin-2-amine?
The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine (CID 162722227) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-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]quinazolin-2-amine?
The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine is Nc1ncc2cc(-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]quinazolin-2-amine?
The InChIKey is RIBNUXBNESSUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N9O/c20-12-5-11(17-28-29-18(33-17)15(22)23)13(21)4-10(12)7-32-30-16(27-31-32)8-1-2-14-9(3-8)6-25-19(24)26-14/h1-6,15H,7H2,(H2,24,25,26).
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]quinazolin-2-amine has a molecular weight of 457.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 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]quinazolin-2-amine is sourced from PubChem (CID 162722227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).