[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone

C16H17ClN4O2 — CID 54025103

IUPAC[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone
SMILESCC(C)(C)c1nc(N2C=NC(C(=O)c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C16H17ClN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-5-4-6-11(17)7-10/h4-7,9,12H,8H2,1-3H3
InChIKeyLBQIHNHCHMDRFJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.12
Rot. Bonds3

About [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone

[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone (PubChem CID 54025103) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone
PubChem CID54025103
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone
SMILESCC(C)(C)c1nc(N2C=NC(C(=O)c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C16H17ClN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-5-4-6-11(17)7-10/h4-7,9,12H,8H2,1-3H3
InChIKeyLBQIHNHCHMDRFJ-UHFFFAOYSA-N
XLogP3.12
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone (CID 54025103) is [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone is CC(C)(C)c1nc(N2C=NC(C(=O)c3cccc(Cl)c3)C2)no1.
What is the InChIKey of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone?
The InChIKey is LBQIHNHCHMDRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-5-4-6-11(17)7-10/h4-7,9,12H,8H2,1-3H3.
What are the key properties of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone?
[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone has a molecular weight of 332.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 54025103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).