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

C23H16F4N4O2 — CID 68724499

IUPACN-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C23H16F4N4O2/c24-15-7-5-12(6-8-15)19-18(20(33-31-19)23(25,26)27)17-11-28-21(30-17)13-1-3-14(4-2-13)22(32)29-16-9-10-16/h1-8,11,16H,9-10H2,(H,28,30)(H,29,32)
InChIKeyATPPRDOZCACOOI-UHFFFAOYSA-N
MW456.40 g/mol
LogP5.45
Rot. Bonds5

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

N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (PubChem CID 68724499) has the molecular formula C23H16F4N4O2 and a molecular weight of 456.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
PubChem CID68724499
Molecular FormulaC23H16F4N4O2
Molecular Weight456.40 g/mol
Exact Mass456.12
IUPAC NameN-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C23H16F4N4O2/c24-15-7-5-12(6-8-15)19-18(20(33-31-19)23(25,26)27)17-11-28-21(30-17)13-1-3-14(4-2-13)22(32)29-16-9-10-16/h1-8,11,16H,9-10H2,(H,28,30)(H,29,32)
InChIKeyATPPRDOZCACOOI-UHFFFAOYSA-N
XLogP5.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (CID 68724499) is N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is O=C(NC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1.
What is the InChIKey of N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The InChIKey is ATPPRDOZCACOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O2/c24-15-7-5-12(6-8-15)19-18(20(33-31-19)23(25,26)27)17-11-28-21(30-17)13-1-3-14(4-2-13)22(32)29-16-9-10-16/h1-8,11,16H,9-10H2,(H,28,30)(H,29,32).
What are the key properties of N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide has a molecular weight of 456.40 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 68724499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).