3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C14H20N4O4 — CID 134712083

IUPAC3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)CN3CCOC3=O)C[C@H]2O)n[nH]1
InChIInChI=1S/C14H20N4O4/c1-9-4-11(16-15-9)5-10-6-18(7-12(10)19)13(20)8-17-2-3-22-14(17)21/h4,10,12,19H,2-3,5-8H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyIENPCWDTFYQEGN-ZYHUDNBSSA-N
MW308.34 g/mol
LogP-0.47
Rot. Bonds4

About 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 134712083) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID134712083
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)CN3CCOC3=O)C[C@H]2O)n[nH]1
InChIInChI=1S/C14H20N4O4/c1-9-4-11(16-15-9)5-10-6-18(7-12(10)19)13(20)8-17-2-3-22-14(17)21/h4,10,12,19H,2-3,5-8H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyIENPCWDTFYQEGN-ZYHUDNBSSA-N
XLogP-0.47
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 134712083) is 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1cc(C[C@@H]2CN(C(=O)CN3CCOC3=O)C[C@H]2O)n[nH]1.
What is the InChIKey of 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is IENPCWDTFYQEGN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-9-4-11(16-15-9)5-10-6-18(7-12(10)19)13(20)8-17-2-3-22-14(17)21/h4,10,12,19H,2-3,5-8H2,1H3,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134712083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).