N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide

C15H21N3O4 — CID 129490350

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@H]2CCOC2=O)C1
InChIInChI=1S/C15H21N3O4/c1-10-7-16-14(22-10)9-18(11(2)19)12-3-5-17(8-12)13-4-6-21-15(13)20/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyFOBCNVOUWSVQMH-OLZOCXBDSA-N
MW307.35 g/mol
LogP0.72
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide (PubChem CID 129490350) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
PubChem CID129490350
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@H]2CCOC2=O)C1
InChIInChI=1S/C15H21N3O4/c1-10-7-16-14(22-10)9-18(11(2)19)12-3-5-17(8-12)13-4-6-21-15(13)20/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyFOBCNVOUWSVQMH-OLZOCXBDSA-N
XLogP0.72
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide (CID 129490350) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@H]2CCOC2=O)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is FOBCNVOUWSVQMH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-7-16-14(22-10)9-18(11(2)19)12-3-5-17(8-12)13-4-6-21-15(13)20/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129490350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).