N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine

C8H13N3O — CID 83873657

IUPACN-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NC2CC2)o1
InChIInChI=1S/C8H13N3O/c1-5(2)7-10-11-8(12-7)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyMXJGGPCROYTVMR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.77
Rot. Bonds3

About N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine

N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 83873657) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID83873657
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NC2CC2)o1
InChIInChI=1S/C8H13N3O/c1-5(2)7-10-11-8(12-7)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyMXJGGPCROYTVMR-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 83873657) is N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)c1nnc(NC2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MXJGGPCROYTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7-10-11-8(12-7)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 167.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 83873657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).