5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine

C16H17N5O — CID 72867117

IUPAC5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(C(Cn2cccn2)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-12(6-3-1)14(11-21-10-4-9-17-21)18-16-20-19-15(22-16)13-7-8-13/h1-6,9-10,13-14H,7-8,11H2,(H,18,20)
InChIKeyHYXJYGWCVLBKLE-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.00
Rot. Bonds6

About 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72867117) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID72867117
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(C(Cn2cccn2)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-12(6-3-1)14(11-21-10-4-9-17-21)18-16-20-19-15(22-16)13-7-8-13/h1-6,9-10,13-14H,7-8,11H2,(H,18,20)
InChIKeyHYXJYGWCVLBKLE-UHFFFAOYSA-N
XLogP3.00
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
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-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine (CID 72867117) is 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine is c1ccc(C(Cn2cccn2)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HYXJYGWCVLBKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-5-12(6-3-1)14(11-21-10-4-9-17-21)18-16-20-19-15(22-16)13-7-8-13/h1-6,9-10,13-14H,7-8,11H2,(H,18,20).
What are the key properties of 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 295.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72867117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).