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

C16H17FN4O2 — CID 54393439

IUPAC[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)c1nc(N2C=NC(C(=O)c3ccccc3F)C2)no1
InChIInChI=1S/C16H17FN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-6-4-5-7-11(10)17/h4-7,9,12H,8H2,1-3H3
InChIKeyVIGQIOHXDTZGJK-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.61
Rot. Bonds3

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

[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone (PubChem CID 54393439) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone
PubChem CID54393439
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)c1nc(N2C=NC(C(=O)c3ccccc3F)C2)no1
InChIInChI=1S/C16H17FN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-6-4-5-7-11(10)17/h4-7,9,12H,8H2,1-3H3
InChIKeyVIGQIOHXDTZGJK-UHFFFAOYSA-N
XLogP2.61
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(Dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone
CID 13576508
[1-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-fluorophenyl)methanone
CID 53706341
[1-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(4-fluorophenyl)methanone
CID 54414504
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one
CID 57293095
[1-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone
CID 71895131
1-(4-Fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 86782983
N-Ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]-4-oxobutanamide
CID 91791717
1-[4-[2-(4-Fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110611215
[1-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 133530289
(4-Fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 136527124
[1-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(3-chlorophenyl)methanone
CID 54025103
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one
CID 57130498

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone (CID 54393439) is [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone is CC(C)(C)c1nc(N2C=NC(C(=O)c3ccccc3F)C2)no1.
What is the InChIKey of [1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone?
The InChIKey is VIGQIOHXDTZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-16(2,3)14-19-15(20-23-14)21-8-12(18-9-21)13(22)10-6-4-5-7-11(10)17/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]-(2-fluorophenyl)methanone?
[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroimidazol-4-yl]-(2-fluorophenyl)methanone has a molecular weight of 316.34 g/mol, XLogP of 2.61, 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]-(2-fluorophenyl)methanone is sourced from PubChem (CID 54393439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).