ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate

C14H23N3O5S — CID 70775705

IUPACethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCC[C@@H]1CN(c2nc(C(=O)OCC)co2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H23N3O5S/c1-4-6-10-7-17(8-11(10)16-23(3,19)20)14-15-12(9-22-14)13(18)21-5-2/h9-11,16H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyHBVZMLZHSLSUCE-GHMZBOCLSA-N
MW345.42 g/mol
LogP1.01
Rot. Bonds7

About ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70775705) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID70775705
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Nameethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCC[C@@H]1CN(c2nc(C(=O)OCC)co2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H23N3O5S/c1-4-6-10-7-17(8-11(10)16-23(3,19)20)14-15-12(9-22-14)13(18)21-5-2/h9-11,16H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyHBVZMLZHSLSUCE-GHMZBOCLSA-N
XLogP1.01
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate (CID 70775705) is ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate is CCC[C@@H]1CN(c2nc(C(=O)OCC)co2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is HBVZMLZHSLSUCE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-4-6-10-7-17(8-11(10)16-23(3,19)20)14-15-12(9-22-14)13(18)21-5-2/h9-11,16H,4-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70775705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).