5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine

C16H19N5O — CID 126794781

IUPAC5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C16H19N5O/c1-2-3-9-15-18-19-16(22-15)17-12-13-10-11-21(20-13)14-7-5-4-6-8-14/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,19)
InChIKeyBLLZHTBWCCPZFN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.21
Rot. Bonds7

About 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine

5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126794781) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126794781
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C16H19N5O/c1-2-3-9-15-18-19-16(22-15)17-12-13-10-11-21(20-13)14-7-5-4-6-8-14/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,19)
InChIKeyBLLZHTBWCCPZFN-UHFFFAOYSA-N
XLogP3.21
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 126794781) is 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is CCCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1.
What is the InChIKey of 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BLLZHTBWCCPZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-3-9-15-18-19-16(22-15)17-12-13-10-11-21(20-13)14-7-5-4-6-8-14/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,19).
What are the key properties of 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126794781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).