1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H13F3N2O3 — CID 63709107

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)no1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-8(15-19-7)5-16-3-2-10(6-16,9(17)18)11(12,13)14/h4H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyIEECWVNSCLXGAT-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.82
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709107) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709107
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)no1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-8(15-19-7)5-16-3-2-10(6-16,9(17)18)11(12,13)14/h4H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyIEECWVNSCLXGAT-UHFFFAOYSA-N
XLogP1.82
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709107) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cc1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IEECWVNSCLXGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-4-8(15-19-7)5-16-3-2-10(6-16,9(17)18)11(12,13)14/h4H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).