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

C17H19N5O — CID 138032125

IUPAC5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cc(-c2nnc(NCC3(c4ccccc4)CCC3)o2)cn1
InChIInChI=1S/C17H19N5O/c1-22-11-13(10-19-22)15-20-21-16(23-15)18-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,18,21)
InChIKeyLSZOHFIPTMFPLE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds5

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

5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 138032125) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID138032125
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cc(-c2nnc(NCC3(c4ccccc4)CCC3)o2)cn1
InChIInChI=1S/C17H19N5O/c1-22-11-13(10-19-22)15-20-21-16(23-15)18-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,18,21)
InChIKeyLSZOHFIPTMFPLE-UHFFFAOYSA-N
XLogP3.00
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine (CID 138032125) is 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine is Cn1cc(-c2nnc(NCC3(c4ccccc4)CCC3)o2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LSZOHFIPTMFPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22-11-13(10-19-22)15-20-21-16(23-15)18-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,18,21).
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 138032125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).