1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid

C13H16N2O5 — CID 154735717

IUPAC1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C13H16N2O5/c1-19-13(12(17)18)4-5-15(7-13)11(16)9-6-10(20-14-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,17,18)
InChIKeyFOIMSAOMICISNR-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.87
Rot. Bonds4

About 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid (PubChem CID 154735717) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
PubChem CID154735717
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C13H16N2O5/c1-19-13(12(17)18)4-5-15(7-13)11(16)9-6-10(20-14-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,17,18)
InChIKeyFOIMSAOMICISNR-UHFFFAOYSA-N
XLogP0.87
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131688336
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 119042721

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid (CID 154735717) is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid is COC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid?
The InChIKey is FOIMSAOMICISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-13(12(17)18)4-5-15(7-13)11(16)9-6-10(20-14-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid?
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154735717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).