(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

C12H15F3N2O3 — CID 70710534

IUPAC(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCCc1cc(C(=O)N2CCOC(C(F)(F)F)C2)no1
InChIInChI=1S/C12H15F3N2O3/c1-2-3-8-6-9(16-20-8)11(18)17-4-5-19-10(7-17)12(13,14)15/h6,10H,2-5,7H2,1H3
InChIKeyPLUDLUIPUWNCIG-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.03
Rot. Bonds3

About (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 70710534) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID70710534
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCCc1cc(C(=O)N2CCOC(C(F)(F)F)C2)no1
InChIInChI=1S/C12H15F3N2O3/c1-2-3-8-6-9(16-20-8)11(18)17-4-5-19-10(7-17)12(13,14)15/h6,10H,2-5,7H2,1H3
InChIKeyPLUDLUIPUWNCIG-UHFFFAOYSA-N
XLogP2.03
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 70710534) is (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is CCCc1cc(C(=O)N2CCOC(C(F)(F)F)C2)no1.
What is the InChIKey of (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is PLUDLUIPUWNCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-2-3-8-6-9(16-20-8)11(18)17-4-5-19-10(7-17)12(13,14)15/h6,10H,2-5,7H2,1H3.
What are the key properties of (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 292.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 70710534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).