methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate

C10H12N2O4 — CID 115825393

IUPACmethyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccno2)C1
InChIInChI=1S/C10H12N2O4/c1-15-10(14)7-3-5-12(6-7)9(13)8-2-4-11-16-8/h2,4,7H,3,5-6H2,1H3
InChIKeyXHYWVIAINJHXJL-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.31
Rot. Bonds2

About methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 115825393) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
PubChem CID115825393
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccno2)C1
InChIInChI=1S/C10H12N2O4/c1-15-10(14)7-3-5-12(6-7)9(13)8-2-4-11-16-8/h2,4,7H,3,5-6H2,1H3
InChIKeyXHYWVIAINJHXJL-UHFFFAOYSA-N
XLogP0.31
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115825892
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
[(5aR,9aS)-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1,2-oxazol-5-yl)methanone
CID 97403369
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate (CID 115825393) is methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2ccno2)C1.
What is the InChIKey of methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is XHYWVIAINJHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-10(14)7-3-5-12(6-7)9(13)8-2-4-11-16-8/h2,4,7H,3,5-6H2,1H3.
What are the key properties of methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 115825393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).