(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol

C9H14N2O3 — CID 115278409

IUPAC(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN2C[C@@H](O)[C@@H](O)C2)on1
InChIInChI=1S/C9H14N2O3/c1-6-2-7(14-10-6)3-11-4-8(12)9(13)5-11/h2,8-9,12-13H,3-5H2,1H3/t8-,9+
InChIKeyUNWRSVUYWWSTII-DTORHVGOSA-N
MW198.22 g/mol
LogP-0.48
Rot. Bonds2

About (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 115278409) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
PubChem CID115278409
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN2C[C@@H](O)[C@@H](O)C2)on1
InChIInChI=1S/C9H14N2O3/c1-6-2-7(14-10-6)3-11-4-8(12)9(13)5-11/h2,8-9,12-13H,3-5H2,1H3/t8-,9+
InChIKeyUNWRSVUYWWSTII-DTORHVGOSA-N
XLogP-0.48
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol (CID 115278409) is (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol is Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)on1.
What is the InChIKey of (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is UNWRSVUYWWSTII-DTORHVGOSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-2-7(14-10-6)3-11-4-8(12)9(13)5-11/h2,8-9,12-13H,3-5H2,1H3/t8-,9+.
What are the key properties of (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 198.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 115278409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).