6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one

C14H10ClF3N2O3 — CID 162358137

IUPAC6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one
SMILESCOc1ccc(Cl)cc1C1(C)C(=O)Nc2c(C(F)(F)F)noc21
InChIInChI=1S/C14H10ClF3N2O3/c1-13(7-5-6(15)3-4-8(7)22-2)11-9(19-12(13)21)10(20-23-11)14(16,17)18/h3-5H,1-2H3,(H,19,21)
InChIKeyYSOCRTIBDLZAEC-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.61
Rot. Bonds2

About 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one

6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one (PubChem CID 162358137) has the molecular formula C14H10ClF3N2O3 and a molecular weight of 346.69 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one
PubChem CID162358137
Molecular FormulaC14H10ClF3N2O3
Molecular Weight346.69 g/mol
Exact Mass346.03
IUPAC Name6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one
SMILESCOc1ccc(Cl)cc1C1(C)C(=O)Nc2c(C(F)(F)F)noc21
InChIInChI=1S/C14H10ClF3N2O3/c1-13(7-5-6(15)3-4-8(7)22-2)11-9(19-12(13)21)10(20-23-11)14(16,17)18/h3-5H,1-2H3,(H,19,21)
InChIKeyYSOCRTIBDLZAEC-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one 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

(6S)-6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[2,3-d][1,2]oxazole
CID 172755710
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358091
5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 82088842
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164
3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 11079059
(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358071
(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one
CID 162358040
6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106514718
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
CID 58485436

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one (CID 162358137) is 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one is COc1ccc(Cl)cc1C1(C)C(=O)Nc2c(C(F)(F)F)noc21.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one?
The InChIKey is YSOCRTIBDLZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3/c1-13(7-5-6(15)3-4-8(7)22-2)11-9(19-12(13)21)10(20-23-11)14(16,17)18/h3-5H,1-2H3,(H,19,21).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one?
6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one has a molecular weight of 346.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one is sourced from PubChem (CID 162358137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).