[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C10H14N2O4 — CID 79404285

IUPAC[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3/t7-,8+
InChIKeySNWAJFPGRWLJFL-OCAPTIKFSA-N
MW226.23 g/mol
LogP-0.53
Rot. Bonds1

About [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 79404285) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID79404285
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3/t7-,8+
InChIKeySNWAJFPGRWLJFL-OCAPTIKFSA-N
XLogP-0.53
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 79404285) is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is SNWAJFPGRWLJFL-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3/t7-,8+.
What are the key properties of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 226.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 79404285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).