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

C19H17F3N8O — CID 162722687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1
InChIInChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24)
InChIKeyRTXXSFWUZUTLCS-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.15
Rot. Bonds6

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

2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (PubChem CID 162722687) has the molecular formula C19H17F3N8O and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
PubChem CID162722687
Molecular FormulaC19H17F3N8O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1
InChIInChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24)
InChIKeyRTXXSFWUZUTLCS-UHFFFAOYSA-N
XLogP3.15
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (CID 162722687) is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]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]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is CC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1.
What is the InChIKey of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The InChIKey is RTXXSFWUZUTLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24).
What are the key properties of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine has a molecular weight of 430.39 g/mol, XLogP of 3.15, 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]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is sourced from PubChem (CID 162722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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