1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C26H18ClF12N3O3 — CID 118046652

IUPAC1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)cc2CC(F)(F)F)CN1CCC(F)(F)F
InChIInChI=1S/C26H18ClF12N3O3/c27-17-7-15(6-16(8-17)25(34,35)36)22(26(37,38)39)10-19(40-45-22)13-1-2-18(14(5-13)9-24(31,32)33)21(44)42-11-20(43)41(12-42)4-3-23(28,29)30/h1-2,5-8H,3-4,9-12H2
InChIKeyOQIVUGYRNNKIFT-UHFFFAOYSA-N
MW683.88 g/mol
LogP7.24
Rot. Bonds6

About 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 118046652) has the molecular formula C26H18ClF12N3O3 and a molecular weight of 683.88 g/mol. Its IUPAC name is 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID118046652
Molecular FormulaC26H18ClF12N3O3
Molecular Weight683.88 g/mol
Exact Mass683.08
IUPAC Name1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)cc2CC(F)(F)F)CN1CCC(F)(F)F
InChIInChI=1S/C26H18ClF12N3O3/c27-17-7-15(6-16(8-17)25(34,35)36)22(26(37,38)39)10-19(40-45-22)13-1-2-18(14(5-13)9-24(31,32)33)21(44)42-11-20(43)41(12-42)4-3-23(28,29)30/h1-2,5-8H,3-4,9-12H2
InChIKeyOQIVUGYRNNKIFT-UHFFFAOYSA-N
XLogP7.24
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one with MolForge

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Related Compounds

1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 118046955
[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone
CID 144840630
(5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 123147524
sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide
CID 158516044
1-[3-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 56650296
2-(bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoic acid
CID 87529950
1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one
CID 118052669
[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 118053499
3-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-cyclopropyl-3-fluoroazetidine-1-carboxamide
CID 56651990
4-[5-(3-amino-5-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 178099924
4-[2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118053536
N'-[3,5-bis(trifluoromethyl)benzoyl]-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzohydrazide
CID 163288345

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 118046652) is 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is O=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)cc2CC(F)(F)F)CN1CCC(F)(F)F.
What is the InChIKey of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is OQIVUGYRNNKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF12N3O3/c27-17-7-15(6-16(8-17)25(34,35)36)22(26(37,38)39)10-19(40-45-22)13-1-2-18(14(5-13)9-24(31,32)33)21(44)42-11-20(43)41(12-42)4-3-23(28,29)30/h1-2,5-8H,3-4,9-12H2.
What are the key properties of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 683.88 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 118046652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).