(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

C12H15F3N2O4 — CID 167946416

IUPAC(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCOc1nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)co1
InChIInChI=1S/C12H15F3N2O4/c1-3-19-11-16-8(6-21-11)10(18)17-4-5-20-7(2)9(17)12(13,14)15/h6-7,9H,3-5H2,1-2H3/t7-,9-/m0/s1
InChIKeyRYAYMGQYGCWGHD-CBAPKCEASA-N
MW308.26 g/mol
LogP1.87
Rot. Bonds3

About (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 167946416) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID167946416
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCOc1nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)co1
InChIInChI=1S/C12H15F3N2O4/c1-3-19-11-16-8(6-21-11)10(18)17-4-5-20-7(2)9(17)12(13,14)15/h6-7,9H,3-5H2,1-2H3/t7-,9-/m0/s1
InChIKeyRYAYMGQYGCWGHD-CBAPKCEASA-N
XLogP1.87
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (CID 167946416) is (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is CCOc1nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)co1.
What is the InChIKey of (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is RYAYMGQYGCWGHD-CBAPKCEASA-N. The full InChI is InChI=1S/C12H15F3N2O4/c1-3-19-11-16-8(6-21-11)10(18)17-4-5-20-7(2)9(17)12(13,14)15/h6-7,9H,3-5H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 308.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 167946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).