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

C13H16N2O4 — CID 43410330

IUPACmethyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H16N2O4/c1-18-13(17)10-3-2-6-15(10)12(16)9-7-11(19-14-9)8-4-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAHXZWYBLJLPTMK-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.33
Rot. Bonds3

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

methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410330) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43410330
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H16N2O4/c1-18-13(17)10-3-2-6-15(10)12(16)9-7-11(19-14-9)8-4-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAHXZWYBLJLPTMK-UHFFFAOYSA-N
XLogP1.33
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 60859196
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 124620944
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate (CID 43410330) is methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is AHXZWYBLJLPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-13(17)10-3-2-6-15(10)12(16)9-7-11(19-14-9)8-4-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).