ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate

C14H20N2O4 — CID 60976035

IUPACethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C14H20N2O4/c1-3-19-14(18)7-6-13(17)16-8-4-5-11(16)12-9-10(2)15-20-12/h9,11H,3-8H2,1-2H3
InChIKeyNAOBCSJEDJFLKU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds5

About ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate

ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate (PubChem CID 60976035) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
PubChem CID60976035
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C14H20N2O4/c1-3-19-14(18)7-6-13(17)16-8-4-5-11(16)12-9-10(2)15-20-12/h9,11H,3-8H2,1-2H3
InChIKeyNAOBCSJEDJFLKU-UHFFFAOYSA-N
XLogP1.99
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]hexan-1-one
CID 54873356
7-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]heptan-1-one
CID 60962901
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 97313698
1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 94655342
1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94488431
2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433
2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 62113566
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate (CID 60976035) is ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate?
The InChIKey is NAOBCSJEDJFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-19-14(18)7-6-13(17)16-8-4-5-11(16)12-9-10(2)15-20-12/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate?
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate has a molecular weight of 280.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 60976035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).