N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine

C18H15FN6O — CID 72939632

IUPACN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)o1
InChIInChI=1S/C18H15FN6O/c1-11-24-25-18(26-11)21-10-15-22-16(12-5-4-6-13(19)9-12)17(23-15)14-7-2-3-8-20-14/h2-9H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyHILXAWOKDBZFRX-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.58
Rot. Bonds5

About N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 72939632) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID72939632
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)o1
InChIInChI=1S/C18H15FN6O/c1-11-24-25-18(26-11)21-10-15-22-16(12-5-4-6-13(19)9-12)17(23-15)14-7-2-3-8-20-14/h2-9H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyHILXAWOKDBZFRX-UHFFFAOYSA-N
XLogP3.58
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 72939632) is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)o1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is HILXAWOKDBZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-11-24-25-18(26-11)21-10-15-22-16(12-5-4-6-13(19)9-12)17(23-15)14-7-2-3-8-20-14/h2-9H,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 350.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72939632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).