5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

C16H21ClN6O — CID 56873944

IUPAC5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2nccn2C(C)c2nc(CC)no2)c(Cl)[nH]1
InChIInChI=1S/C16H21ClN6O/c1-4-6-7-12-19-13(14(17)20-12)15-18-8-9-23(15)10(3)16-21-11(5-2)22-24-16/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyKWWHJXINACSBKU-UHFFFAOYSA-N
MW348.84 g/mol
LogP3.82
Rot. Bonds7

About 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 56873944) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID56873944
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2nccn2C(C)c2nc(CC)no2)c(Cl)[nH]1
InChIInChI=1S/C16H21ClN6O/c1-4-6-7-12-19-13(14(17)20-12)15-18-8-9-23(15)10(3)16-21-11(5-2)22-24-16/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyKWWHJXINACSBKU-UHFFFAOYSA-N
XLogP3.82
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (CID 56873944) is 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is CCCCc1nc(-c2nccn2C(C)c2nc(CC)no2)c(Cl)[nH]1.
What is the InChIKey of 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is KWWHJXINACSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-4-6-7-12-19-13(14(17)20-12)15-18-8-9-23(15)10(3)16-21-11(5-2)22-24-16/h8-10H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 348.84 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 56873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).