5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine

C17H11F2N9O2 — CID 162722213

IUPAC5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)ccc2o1
InChIInChI=1S/C17H11F2N9O2/c18-13(19)16-25-24-15(30-16)9-1-3-10(21-6-9)7-28-26-14(23-27-28)8-2-4-12-11(5-8)22-17(20)29-12/h1-6,13H,7H2,(H2,20,22)
InChIKeyJDDMBYXSGPQZNS-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.49
Rot. Bonds5

About 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine

5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine (PubChem CID 162722213) has the molecular formula C17H11F2N9O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine
PubChem CID162722213
Molecular FormulaC17H11F2N9O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC Name5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)ccc2o1
InChIInChI=1S/C17H11F2N9O2/c18-13(19)16-25-24-15(30-16)9-1-3-10(21-6-9)7-28-26-14(23-27-28)8-2-4-12-11(5-8)22-17(20)29-12/h1-6,13H,7H2,(H2,20,22)
InChIKeyJDDMBYXSGPQZNS-UHFFFAOYSA-N
XLogP2.49
TPSA147.46 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Related Compounds

US9580432, Example 43
CID 118519733
US9580432, Example 44
CID 118519882
5-[4-Amino-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 127046076
5-[4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 156016349
5-[4-amino-1-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 156018821
6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-N-hydroxypyridine-3-carboxamide
CID 164610756
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 70798615
5-[5-Amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine
CID 70798724
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-methylbenzo[d]oxazol-7-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609805
1-(benzo[d]oxazol-4-yl)-N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610099
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzoxazol-2-amine
CID 162722174
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]methyl]imidazol-4-yl]-1,3-benzoxazol-2-amine
CID 162722324

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine (CID 162722213) is 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)ccc2o1.
What is the InChIKey of 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine?
The InChIKey is JDDMBYXSGPQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N9O2/c18-13(19)16-25-24-15(30-16)9-1-3-10(21-6-9)7-28-26-14(23-27-28)8-2-4-12-11(5-8)22-17(20)29-12/h1-6,13H,7H2,(H2,20,22).
What are the key properties of 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine?
5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine has a molecular weight of 411.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 162722213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).