4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide

C20H14Cl2F3N3O4 — CID 126757387

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESO=C(N[C@H]1CONC1=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H14Cl2F3N3O4/c21-13-5-12(6-14(22)7-13)19(20(23,24)25)8-15(27-32-19)10-1-3-11(4-2-10)17(29)26-16-9-31-28-18(16)30/h1-7,16H,8-9H2,(H,26,29)(H,28,30)/t16-,19?/m0/s1
InChIKeyCRMLIKVTWUOKEY-UCFFOFKASA-N
MW488.25 g/mol
LogP3.74
Rot. Bonds4

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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide (PubChem CID 126757387) has the molecular formula C20H14Cl2F3N3O4 and a molecular weight of 488.25 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide
PubChem CID126757387
Molecular FormulaC20H14Cl2F3N3O4
Molecular Weight488.25 g/mol
Exact Mass487.03
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESO=C(N[C@H]1CONC1=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H14Cl2F3N3O4/c21-13-5-12(6-14(22)7-13)19(20(23,24)25)8-15(27-32-19)10-1-3-11(4-2-10)17(29)26-16-9-31-28-18(16)30/h1-7,16H,8-9H2,(H,26,29)(H,28,30)/t16-,19?/m0/s1
InChIKeyCRMLIKVTWUOKEY-UCFFOFKASA-N
XLogP3.74
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.25
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide
CID 162600024
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-1,1,1-trifluoropropane-2-sulfonic acid
CID 175393506
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]benzamide
CID 59355612
N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide
CID 57489526
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(thietan-3-yl)benzamide
CID 53355387
3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]anilino]-3-oxopropanoic acid
CID 178068354
N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]benzamide
CID 59355683
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxooxathiolan-4-yl)benzamide
CID 53241200
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
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3-hydroxy-1-methylpyrazolidin-4-yl)-2-methylbenzamide
CID 123257564

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide (CID 126757387) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide is O=C(N[C@H]1CONC1=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The InChIKey is CRMLIKVTWUOKEY-UCFFOFKASA-N. The full InChI is InChI=1S/C20H14Cl2F3N3O4/c21-13-5-12(6-14(22)7-13)19(20(23,24)25)8-15(27-32-19)10-1-3-11(4-2-10)17(29)26-16-9-31-28-18(16)30/h1-7,16H,8-9H2,(H,26,29)(H,28,30)/t16-,19?/m0/s1.
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 488.25 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 126757387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).