(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid

C14H14N2O3 — CID 124710219

IUPAC(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-6-9-19-12(11)13-15-7-8-16(13)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6,9H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyTTZOSKADNJZIGW-NEPJUHHUSA-N
MW258.28 g/mol
LogP2.03
Rot. Bonds3

About (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid

(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid (PubChem CID 124710219) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid
PubChem CID124710219
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-6-9-19-12(11)13-15-7-8-16(13)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6,9H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyTTZOSKADNJZIGW-NEPJUHHUSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid (CID 124710219) is (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid is O=C(O)[C@@H]1CCO[C@@H]1c1nccn1-c1ccccc1.
What is the InChIKey of (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid?
The InChIKey is TTZOSKADNJZIGW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)11-6-9-19-12(11)13-15-7-8-16(13)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6,9H2,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid?
(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 124710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).