N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide

C24H21FN4O2 — CID 69263073

IUPACN-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cnc(-c2cccc(C(=O)NC3CCC3)c2)[nH]1
InChIInChI=1S/C24H21FN4O2/c1-14-21(22(29-31-14)15-5-3-8-18(25)12-15)20-13-26-23(28-20)16-6-2-7-17(11-16)24(30)27-19-9-4-10-19/h2-3,5-8,11-13,19H,4,9-10H2,1H3,(H,26,28)(H,27,30)
InChIKeyQJVCEVGXQDGSTR-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.13
Rot. Bonds5

About N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide

N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (PubChem CID 69263073) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
PubChem CID69263073
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cnc(-c2cccc(C(=O)NC3CCC3)c2)[nH]1
InChIInChI=1S/C24H21FN4O2/c1-14-21(22(29-31-14)15-5-3-8-18(25)12-15)20-13-26-23(28-20)16-6-2-7-17(11-16)24(30)27-19-9-4-10-19/h2-3,5-8,11-13,19H,4,9-10H2,1H3,(H,26,28)(H,27,30)
InChIKeyQJVCEVGXQDGSTR-UHFFFAOYSA-N
XLogP5.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (CID 69263073) is N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is Cc1onc(-c2cccc(F)c2)c1-c1cnc(-c2cccc(C(=O)NC3CCC3)c2)[nH]1.
What is the InChIKey of N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The InChIKey is QJVCEVGXQDGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-21(22(29-31-14)15-5-3-8-18(25)12-15)20-13-26-23(28-20)16-6-2-7-17(11-16)24(30)27-19-9-4-10-19/h2-3,5-8,11-13,19H,4,9-10H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 69263073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).