ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate

C15H22N2O4 — CID 99841045

IUPACethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ncoc2C)C1
InChIInChI=1S/C15H22N2O4/c1-5-20-14(19)15(10(2)3)6-7-17(8-15)13(18)12-11(4)21-9-16-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1
InChIKeyRUALUKXDYJXZLN-HNNXBMFYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds4

About ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate

ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 99841045) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID99841045
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ncoc2C)C1
InChIInChI=1S/C15H22N2O4/c1-5-20-14(19)15(10(2)3)6-7-17(8-15)13(18)12-11(4)21-9-16-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1
InChIKeyRUALUKXDYJXZLN-HNNXBMFYSA-N
XLogP2.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate (CID 99841045) is ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ncoc2C)C1.
What is the InChIKey of ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is RUALUKXDYJXZLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-20-14(19)15(10(2)3)6-7-17(8-15)13(18)12-11(4)21-9-16-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1.
What are the key properties of ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 99841045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).