(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C10H11F3N2O3 — CID 126822620

IUPAC(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC2C(F)(F)F)on1
InChIInChI=1S/C10H11F3N2O3/c1-17-8-5-6(18-14-8)9(16)15-4-2-3-7(15)10(11,12)13/h5,7H,2-4H2,1H3
InChIKeyKNLXVPIGVBBMIW-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.85
Rot. Bonds2

About (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 126822620) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID126822620
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC2C(F)(F)F)on1
InChIInChI=1S/C10H11F3N2O3/c1-17-8-5-6(18-14-8)9(16)15-4-2-3-7(15)10(11,12)13/h5,7H,2-4H2,1H3
InChIKeyKNLXVPIGVBBMIW-UHFFFAOYSA-N
XLogP1.85
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 126822620) is (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is COc1cc(C(=O)N2CCCC2C(F)(F)F)on1.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KNLXVPIGVBBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-17-8-5-6(18-14-8)9(16)15-4-2-3-7(15)10(11,12)13/h5,7H,2-4H2,1H3.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126822620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).