3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid

C15H22N2O5 — CID 129167524

IUPAC3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(COC(=O)C1CCN(C(C)C)C1)c1cc(C(=O)O)on1
InChIInChI=1S/C15H22N2O5/c1-9(2)17-5-4-11(7-17)15(20)21-8-10(3)12-6-13(14(18)19)22-16-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeySXYPDTYVSOPOAH-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.75
Rot. Bonds6

About 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid

3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 129167524) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID129167524
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(COC(=O)C1CCN(C(C)C)C1)c1cc(C(=O)O)on1
InChIInChI=1S/C15H22N2O5/c1-9(2)17-5-4-11(7-17)15(20)21-8-10(3)12-6-13(14(18)19)22-16-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeySXYPDTYVSOPOAH-UHFFFAOYSA-N
XLogP1.75
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
CID 67395403
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 130506929
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
CID 129414739
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 119041972
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683417
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683414
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid (CID 129167524) is 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid is CC(COC(=O)C1CCN(C(C)C)C1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is SXYPDTYVSOPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-9(2)17-5-4-11(7-17)15(20)21-8-10(3)12-6-13(14(18)19)22-16-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 129167524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).