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

C11H17N5O — CID 72877623

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCCc2ccnn2C)o1
InChIInChI=1S/C11H17N5O/c1-3-4-10-14-15-11(17-10)12-7-5-9-6-8-13-16(9)2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyGXPNJFMKOZQCKE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.41
Rot. Bonds6

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

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72877623) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72877623
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCCc2ccnn2C)o1
InChIInChI=1S/C11H17N5O/c1-3-4-10-14-15-11(17-10)12-7-5-9-6-8-13-16(9)2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyGXPNJFMKOZQCKE-UHFFFAOYSA-N
XLogP1.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72877623) is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCCc2ccnn2C)o1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GXPNJFMKOZQCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-4-10-14-15-11(17-10)12-7-5-9-6-8-13-16(9)2/h6,8H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72877623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).