N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine

C20H22FN5O — CID 60570019

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-19(23-24-25-26)22-14-20(10-12-27-13-11-20)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3,(H,22,23,25)
InChIKeyADXGYQOKXQJIJV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.27
Rot. Bonds5

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine (PubChem CID 60570019) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine
PubChem CID60570019
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-19(23-24-25-26)22-14-20(10-12-27-13-11-20)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3,(H,22,23,25)
InChIKeyADXGYQOKXQJIJV-UHFFFAOYSA-N
XLogP3.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine (CID 60570019) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine is Cc1ccc(-n2nnnc2NCC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The InChIKey is ADXGYQOKXQJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-19(23-24-25-26)22-14-20(10-12-27-13-11-20)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3,(H,22,23,25).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine has a molecular weight of 367.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 60570019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).