1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H11F3N2O3 — CID 55227079

IUPAC1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(Cc2ccno2)C1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)9(8(16)17)2-4-15(6-9)5-7-1-3-14-18-7/h1,3H,2,4-6H2,(H,16,17)
InChIKeyQDNINNGZGQYETE-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.51
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55227079) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55227079
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(Cc2ccno2)C1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)9(8(16)17)2-4-15(6-9)5-7-1-3-14-18-7/h1,3H,2,4-6H2,(H,16,17)
InChIKeyQDNINNGZGQYETE-UHFFFAOYSA-N
XLogP1.51
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710140
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106416933
3,3,3-Trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
1-(1,2-Oxazol-5-ylmethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106420916
2-[2,2-Difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol
CID 107485264
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130616625
2,2-Difluoro-3-{[(1,2-oxazol-5-yl)methyl]amino}propanoic acid
CID 165789206
1-(1,2-Oxazol-5-ylmethyl)piperidine-4-carboxylic acid
CID 43385824
1-(1,2-Oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid
CID 43441675

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55227079) is 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(Cc2ccno2)C1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QDNINNGZGQYETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)9(8(16)17)2-4-15(6-9)5-7-1-3-14-18-7/h1,3H,2,4-6H2,(H,16,17).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55227079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).