3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C26H18ClF3N4O2 — CID 21088538

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H18ClF3N4O2/c27-18-9-5-16(6-10-18)24-22(36-25(33-24)34-15-31-20-3-1-2-4-21(20)34)13-14-23(35)32-19-11-7-17(8-12-19)26(28,29)30/h1-12,15H,13-14H2,(H,32,35)
InChIKeyONUUVFPXIRGYBS-UHFFFAOYSA-N
MW510.90 g/mol
LogP6.92
Rot. Bonds6

About 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 21088538) has the molecular formula C26H18ClF3N4O2 and a molecular weight of 510.90 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID21088538
Molecular FormulaC26H18ClF3N4O2
Molecular Weight510.90 g/mol
Exact Mass510.11
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H18ClF3N4O2/c27-18-9-5-16(6-10-18)24-22(36-25(33-24)34-15-31-20-3-1-2-4-21(20)34)13-14-23(35)32-19-11-7-17(8-12-19)26(28,29)30/h1-12,15H,13-14H2,(H,32,35)
InChIKeyONUUVFPXIRGYBS-UHFFFAOYSA-N
XLogP6.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.90
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(4-chlorophenyl)oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 90290340
3-[2-(Benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 21088409
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2,4-difluorophenyl)methyl]propanamide
CID 21088477
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2,5-difluorophenyl)methyl]propanamide
CID 21088480
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2,6-difluorophenyl)methyl]propanamide
CID 21088483
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2-chloro-4-fluorophenyl)methyl]propanamide
CID 21088484
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 21088488
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 21088495
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(3,5-difluorophenyl)methyl]propanamide
CID 21088499
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 21088501
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
CID 21088503
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propanamide
CID 21088506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 21088538) is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ONUUVFPXIRGYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N4O2/c27-18-9-5-16(6-10-18)24-22(36-25(33-24)34-15-31-20-3-1-2-4-21(20)34)13-14-23(35)32-19-11-7-17(8-12-19)26(28,29)30/h1-12,15H,13-14H2,(H,32,35).
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 510.90 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 21088538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).