5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole

C15H18N2O2 — CID 10978141

IUPAC5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole
SMILESc1ccc(COC[C@H]2CC[C@H](c3cnc[nH]3)O2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15-/m1/s1
InChIKeyRETVAMKTDRMQFH-UKRRQHHQSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds5

About 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole

5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole (PubChem CID 10978141) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole
PubChem CID10978141
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole
SMILESc1ccc(COC[C@H]2CC[C@H](c3cnc[nH]3)O2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15-/m1/s1
InChIKeyRETVAMKTDRMQFH-UKRRQHHQSA-N
XLogP2.85
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole?
The IUPAC name of 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole (CID 10978141) is 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole?
The canonical SMILES for 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole is c1ccc(COC[C@H]2CC[C@H](c3cnc[nH]3)O2)cc1.
What is the InChIKey of 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole?
The InChIKey is RETVAMKTDRMQFH-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15-/m1/s1.
What are the key properties of 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole?
5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole has a molecular weight of 258.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole is sourced from PubChem (CID 10978141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).