5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole

C9H12N4O — CID 53164448

IUPAC5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccnc2)n1
InChIInChI=1S/C9H12N4O/c1-2-3-8-11-9(14-12-8)6-13-5-4-10-7-13/h4-5,7H,2-3,6H2,1H3
InChIKeyMYGWJDLUHVWJFT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.27
Rot. Bonds4

About 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole

5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 53164448) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
PubChem CID53164448
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccnc2)n1
InChIInChI=1S/C9H12N4O/c1-2-3-8-11-9(14-12-8)6-13-5-4-10-7-13/h4-5,7H,2-3,6H2,1H3
InChIKeyMYGWJDLUHVWJFT-UHFFFAOYSA-N
XLogP1.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole (CID 53164448) is 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(Cn2ccnc2)n1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is MYGWJDLUHVWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-3-8-11-9(14-12-8)6-13-5-4-10-7-13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole?
5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 53164448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).