5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C9H11N5O — CID 115924805

IUPAC5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1c[nH]c(CNc2nnc(C3CC3)o2)n1
InChIInChI=1S/C9H11N5O/c1-2-6(1)8-13-14-9(15-8)12-5-7-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,14)
InChIKeyHJZXHOLOHBPBNM-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.28
Rot. Bonds4

About 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 115924805) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID115924805
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1c[nH]c(CNc2nnc(C3CC3)o2)n1
InChIInChI=1S/C9H11N5O/c1-2-6(1)8-13-14-9(15-8)12-5-7-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,14)
InChIKeyHJZXHOLOHBPBNM-UHFFFAOYSA-N
XLogP1.28
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 115924805) is 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine is c1c[nH]c(CNc2nnc(C3CC3)o2)n1.
What is the InChIKey of 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HJZXHOLOHBPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-6(1)8-13-14-9(15-8)12-5-7-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,14).
What are the key properties of 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 205.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).