(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

C16H15Cl2F3N2O2 — CID 95445368

IUPAC(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15Cl2F3N2O2/c1-9-10(7-23-5-6-24-13(8-23)16(19,20)21)15(22-25-9)14-11(17)3-2-4-12(14)18/h2-4,13H,5-8H2,1H3/t13-/m1/s1
InChIKeyQVHREZGPROQTMM-CYBMUJFWSA-N
MW395.21 g/mol
LogP4.72
Rot. Bonds3

About (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95445368) has the molecular formula C16H15Cl2F3N2O2 and a molecular weight of 395.21 g/mol. Its IUPAC name is (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID95445368
Molecular FormulaC16H15Cl2F3N2O2
Molecular Weight395.21 g/mol
Exact Mass394.05
IUPAC Name(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15Cl2F3N2O2/c1-9-10(7-23-5-6-24-13(8-23)16(19,20)21)15(22-25-9)14-11(17)3-2-4-12(14)18/h2-4,13H,5-8H2,1H3/t13-/m1/s1
InChIKeyQVHREZGPROQTMM-CYBMUJFWSA-N
XLogP4.72
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine with MolForge

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Related Compounds

3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 156607000
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 139461465
(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine
CID 174289380
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
CID 63747624
4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol
CID 138508058
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95455727

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (CID 95445368) is (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is QVHREZGPROQTMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15Cl2F3N2O2/c1-9-10(7-23-5-6-24-13(8-23)16(19,20)21)15(22-25-9)14-11(17)3-2-4-12(14)18/h2-4,13H,5-8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 395.21 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95445368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).