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

C14H16N2O3 — CID 79411338

IUPAC(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)6-11-9-19-14(15-11)10-4-2-1-3-5-10/h1-5,9,12-13,17-18H,6-8H2/t12-,13+
InChIKeyIZYGNGBKXCSHML-BETUJISGSA-N
MW260.29 g/mol
LogP0.88
Rot. Bonds3

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

(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 79411338) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
PubChem CID79411338
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)6-11-9-19-14(15-11)10-4-2-1-3-5-10/h1-5,9,12-13,17-18H,6-8H2/t12-,13+
InChIKeyIZYGNGBKXCSHML-BETUJISGSA-N
XLogP0.88
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
6-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3,4,4a,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 154868739
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol (CID 79411338) is (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is IZYGNGBKXCSHML-BETUJISGSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)6-11-9-19-14(15-11)10-4-2-1-3-5-10/h1-5,9,12-13,17-18H,6-8H2/t12-,13+.
What are the key properties of (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol?
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 260.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 79411338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).