5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

C15H16FN5O2 — CID 126771336

IUPAC5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C15H16FN5O2/c1-2-22-10-14-19-20-15(23-14)17-7-11-8-18-21(9-11)13-5-3-12(16)4-6-13/h3-6,8-9H,2,7,10H2,1H3,(H,17,20)
InChIKeyNRIRJLPSJHYYMC-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.54
Rot. Bonds7

About 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126771336) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126771336
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C15H16FN5O2/c1-2-22-10-14-19-20-15(23-14)17-7-11-8-18-21(9-11)13-5-3-12(16)4-6-13/h3-6,8-9H,2,7,10H2,1H3,(H,17,20)
InChIKeyNRIRJLPSJHYYMC-UHFFFAOYSA-N
XLogP2.54
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 126771336) is 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is CCOCc1nnc(NCc2cnn(-c3ccc(F)cc3)c2)o1.
What is the InChIKey of 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NRIRJLPSJHYYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-2-22-10-14-19-20-15(23-14)17-7-11-8-18-21(9-11)13-5-3-12(16)4-6-13/h3-6,8-9H,2,7,10H2,1H3,(H,17,20).
What are the key properties of 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 317.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126771336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).