[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H13ClF3NO3 — CID 7780512

IUPAC[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NO3/c1-11-16(17(24-27-11)13-7-3-5-9-15(13)20)18(25)26-10-12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3
InChIKeyUXQWPPLMKBSHFT-UHFFFAOYSA-N
MW395.76 g/mol
LogP5.68
Rot. Bonds4

About [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7780512) has the molecular formula C19H13ClF3NO3 and a molecular weight of 395.76 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7780512
Molecular FormulaC19H13ClF3NO3
Molecular Weight395.76 g/mol
Exact Mass395.05
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NO3/c1-11-16(17(24-27-11)13-7-3-5-9-15(13)20)18(25)26-10-12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3
InChIKeyUXQWPPLMKBSHFT-UHFFFAOYSA-N
XLogP5.68
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704954
naphthalen-1-ylmethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825430
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780439
(5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 42893439
(2-cyanophenyl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9341086
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704959
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336891
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336620
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 7780512) is [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UXQWPPLMKBSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO3/c1-11-16(17(24-27-11)13-7-3-5-9-15(13)20)18(25)26-10-12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 395.76 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7780512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).