5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C10H15FN2O3 — CID 123857714

IUPAC5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCCc1ncc(C2OC(CO)C(O)C2F)[nH]1
InChIInChI=1S/C10H15FN2O3/c1-2-7-12-3-5(13-7)10-8(11)9(15)6(4-14)16-10/h3,6,8-10,14-15H,2,4H2,1H3,(H,12,13)
InChIKeyRSRVQIIWPANXNL-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.10
Rot. Bonds3

About 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 123857714) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID123857714
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCCc1ncc(C2OC(CO)C(O)C2F)[nH]1
InChIInChI=1S/C10H15FN2O3/c1-2-7-12-3-5(13-7)10-8(11)9(15)6(4-14)16-10/h3,6,8-10,14-15H,2,4H2,1H3,(H,12,13)
InChIKeyRSRVQIIWPANXNL-UHFFFAOYSA-N
XLogP0.10
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 123857714) is 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is CCc1ncc(C2OC(CO)C(O)C2F)[nH]1.
What is the InChIKey of 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is RSRVQIIWPANXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-2-7-12-3-5(13-7)10-8(11)9(15)6(4-14)16-10/h3,6,8-10,14-15H,2,4H2,1H3,(H,12,13).
What are the key properties of 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 230.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1H-imidazol-5-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 123857714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).