2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide

C22H15Cl3F3N3O5 — CID 154628669

IUPAC2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCN1C(=O)OC(CNC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2Cl)C1=O
InChIInChI=1S/C22H15Cl3F3N3O5/c1-31-19(33)17(35-20(31)34)9-29-18(32)14-3-2-10(4-15(14)25)16-8-21(36-30-16,22(26,27)28)11-5-12(23)7-13(24)6-11/h2-7,17H,8-9H2,1H3,(H,29,32)
InChIKeyVPRVCUYVGPCOBC-UHFFFAOYSA-N
MW564.73 g/mol
LogP4.94
Rot. Bonds5

About 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide

2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide (PubChem CID 154628669) has the molecular formula C22H15Cl3F3N3O5 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide
PubChem CID154628669
Molecular FormulaC22H15Cl3F3N3O5
Molecular Weight564.73 g/mol
Exact Mass563.00
IUPAC Name2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCN1C(=O)OC(CNC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2Cl)C1=O
InChIInChI=1S/C22H15Cl3F3N3O5/c1-31-19(33)17(35-20(31)34)9-29-18(32)14-3-2-10(4-15(14)25)16-8-21(36-30-16,22(26,27)28)11-5-12(23)7-13(24)6-11/h2-7,17H,8-9H2,1H3,(H,29,32)
InChIKeyVPRVCUYVGPCOBC-UHFFFAOYSA-N
XLogP4.94
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.73
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3-methylthietan-3-yl)benzamide
CID 71503996
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 25217250
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(thietan-3-yl)benzamide
CID 53355387
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethoxymethyl)benzamide
CID 25217023
N-[[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]propanamide
CID 25182822
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;hydrochloride
CID 87260577
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 66785191
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
N-(3-chloro-1,1,1-trifluoropropan-2-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 169004156
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dihydroxythietan-3-yl)-2-methylbenzamide
CID 134588412
N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-2-fluoro-6-iodobenzohydrazide
CID 163288354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide (CID 154628669) is 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide is CN1C(=O)OC(CNC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2Cl)C1=O.
What is the InChIKey of 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The InChIKey is VPRVCUYVGPCOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3F3N3O5/c1-31-19(33)17(35-20(31)34)9-29-18(32)14-3-2-10(4-15(14)25)16-8-21(36-30-16,22(26,27)28)11-5-12(23)7-13(24)6-11/h2-7,17H,8-9H2,1H3,(H,29,32).
What are the key properties of 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide?
2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide has a molecular weight of 564.73 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide is sourced from PubChem (CID 154628669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).