[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate

C19H14Cl2F3NO3 — CID 174717580

IUPAC[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C19H14Cl2F3NO3/c1-11(26)27-10-12-4-2-3-5-16(12)17-9-18(28-25-17,19(22,23)24)13-6-14(20)8-15(21)7-13/h2-8H,9-10H2,1H3
InChIKeyQURPPNHHTXJKGG-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.64
Rot. Bonds4

About [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate

[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate (PubChem CID 174717580) has the molecular formula C19H14Cl2F3NO3 and a molecular weight of 432.23 g/mol. Its IUPAC name is [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate
PubChem CID174717580
Molecular FormulaC19H14Cl2F3NO3
Molecular Weight432.23 g/mol
Exact Mass431.03
IUPAC Name[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C19H14Cl2F3NO3/c1-11(26)27-10-12-4-2-3-5-16(12)17-9-18(28-25-17,19(22,23)24)13-6-14(20)8-15(21)7-13/h2-8H,9-10H2,1H3
InChIKeyQURPPNHHTXJKGG-UHFFFAOYSA-N
XLogP5.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
CID 58498015
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylnaphthalene-1-carboxamide
CID 146491854
[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl 2-chloroacetate
CID 87498499
benzyl 3-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-hydroxyazetidine-1-carboxylate
CID 71678305
methyl 2-(bromomethyl)-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoate
CID 87247213
5-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
CID 87554096
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline
CID 66726674
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-iodo-6-methylbenzoic acid
CID 151846670
ethyl N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]carbamate
CID 59355650
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methoxypyridine-2-carboxamide
CID 164897860
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane
CID 67434381
2-(bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoic acid
CID 87529950

Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate?
The IUPAC name of [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate (CID 174717580) is [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate.
What is the SMILES notation for [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate?
The canonical SMILES for [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccccc1C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate?
The InChIKey is QURPPNHHTXJKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3NO3/c1-11(26)27-10-12-4-2-3-5-16(12)17-9-18(28-25-17,19(22,23)24)13-6-14(20)8-15(21)7-13/h2-8H,9-10H2,1H3.
What are the key properties of [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate?
[2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate has a molecular weight of 432.23 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 174717580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).