ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate

C15H24N2O3 — CID 99842676

IUPACethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(C(C)C)CCN(Cc2ncc(C)o2)C1
InChIInChI=1S/C15H24N2O3/c1-5-19-14(18)15(11(2)3)6-7-17(10-15)9-13-16-8-12(4)20-13/h8,11H,5-7,9-10H2,1-4H3/t15-/m0/s1
InChIKeyQJYGRHASIPPJQV-HNNXBMFYSA-N
MW280.37 g/mol
LogP2.39
Rot. Bonds5

About ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate

ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 99842676) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID99842676
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(C(C)C)CCN(Cc2ncc(C)o2)C1
InChIInChI=1S/C15H24N2O3/c1-5-19-14(18)15(11(2)3)6-7-17(10-15)9-13-16-8-12(4)20-13/h8,11H,5-7,9-10H2,1-4H3/t15-/m0/s1
InChIKeyQJYGRHASIPPJQV-HNNXBMFYSA-N
XLogP2.39
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.39
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-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate (CID 99842676) is ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ncc(C)o2)C1.
What is the InChIKey of ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is QJYGRHASIPPJQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-19-14(18)15(11(2)3)6-7-17(10-15)9-13-16-8-12(4)20-13/h8,11H,5-7,9-10H2,1-4H3/t15-/m0/s1.
What are the key properties of ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.39, 5 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-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 99842676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).