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

C16H19N5O — CID 75521964

IUPAC5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C16H19N5O/c1-16(2,3)14-18-19-15(22-14)17-11-12-9-10-21(20-12)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,19)
InChIKeyIKYYZGFHJONIQS-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.16
Rot. Bonds4

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

5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75521964) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75521964
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C16H19N5O/c1-16(2,3)14-18-19-15(22-14)17-11-12-9-10-21(20-12)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,19)
InChIKeyIKYYZGFHJONIQS-UHFFFAOYSA-N
XLogP3.16
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 75521964) is 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)c1nnc(NCc2ccn(-c3ccccc3)n2)o1.
What is the InChIKey of 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IKYYZGFHJONIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)14-18-19-15(22-14)17-11-12-9-10-21(20-12)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75521964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).