[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol

C15H15F2N7O2 — CID 155296553

IUPAC[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol
SMILESCn1nnc(C(O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C15H15F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)12-19-15(11(16)17)26-22-12/h2,4,6,10-11,14,18,25H,3,5H2,1H3
InChIKeyXQQBZANQZBBNFC-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.47
Rot. Bonds5

About [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol

[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol (PubChem CID 155296553) has the molecular formula C15H15F2N7O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol.

Molecular Properties

Compound Name[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol
PubChem CID155296553
Molecular FormulaC15H15F2N7O2
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Name[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol
SMILESCn1nnc(C(O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C15H15F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)12-19-15(11(16)17)26-22-12/h2,4,6,10-11,14,18,25H,3,5H2,1H3
InChIKeyXQQBZANQZBBNFC-UHFFFAOYSA-N
XLogP1.47
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol?
The IUPAC name of [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol (CID 155296553) is [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol.
What is the SMILES notation for [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol?
The canonical SMILES for [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol is Cn1nnc(C(O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1.
What is the InChIKey of [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol?
The InChIKey is XQQBZANQZBBNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O2/c1-24-21-13(20-23-24)14(25)18-10-5-3-7-6-8(2-4-9(7)10)12-19-15(11(16)17)26-22-12/h2,4,6,10-11,14,18,25H,3,5H2,1H3.
What are the key properties of [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol?
[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol has a molecular weight of 363.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol is sourced from PubChem (CID 155296553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).