oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole

C19H18N2O5 — CID 11164056

IUPACoxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2[C@@H]2O[C@H]2C2=NCCN2)cc1
InChIInChI=1S/C17H16N2O.C2H2O4/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-16(20-15)17-18-10-11-19-17;3-1(4)2(5)6/h1-9,15-16H,10-11H2,(H,18,19);(H,3,4)(H,5,6)/t15-,16+;/m0./s1
InChIKeyLWEOSPJXOKMJKX-IDVLALEDSA-N
MW354.36 g/mol
LogP1.95
Rot. Bonds3

About oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole

oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11164056) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameoxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID11164056
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameoxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2[C@@H]2O[C@H]2C2=NCCN2)cc1
InChIInChI=1S/C17H16N2O.C2H2O4/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-16(20-15)17-18-10-11-19-17;3-1(4)2(5)6/h1-9,15-16H,10-11H2,(H,18,19);(H,3,4)(H,5,6)/t15-,16+;/m0./s1
InChIKeyLWEOSPJXOKMJKX-IDVLALEDSA-N
XLogP1.95
TPSA111.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole (CID 11164056) is oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole is O=C(O)C(=O)O.c1ccc(-c2ccccc2[C@@H]2O[C@H]2C2=NCCN2)cc1.
What is the InChIKey of oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is LWEOSPJXOKMJKX-IDVLALEDSA-N. The full InChI is InChI=1S/C17H16N2O.C2H2O4/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-16(20-15)17-18-10-11-19-17;3-1(4)2(5)6/h1-9,15-16H,10-11H2,(H,18,19);(H,3,4)(H,5,6)/t15-,16+;/m0./s1.
What are the key properties of oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole?
oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 354.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11164056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).