N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide

C19H23N3O3 — CID 122132981

IUPACN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1)C1CCCOC1
InChIInChI=1S/C19H23N3O3/c23-19(14-5-4-11-24-13-14)21-16-8-12-25-17(16)18-20-9-10-22(18)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-17H,4-5,8,11-13H2,(H,21,23)/t14?,16-,17-/m0/s1
InChIKeyYHHZNPXSLROYMX-HGVHAKBWSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds4

About N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide

N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide (PubChem CID 122132981) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide
PubChem CID122132981
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1)C1CCCOC1
InChIInChI=1S/C19H23N3O3/c23-19(14-5-4-11-24-13-14)21-16-8-12-25-17(16)18-20-9-10-22(18)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-17H,4-5,8,11-13H2,(H,21,23)/t14?,16-,17-/m0/s1
InChIKeyYHHZNPXSLROYMX-HGVHAKBWSA-N
XLogP2.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide (CID 122132981) is N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1)C1CCCOC1.
What is the InChIKey of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide?
The InChIKey is YHHZNPXSLROYMX-HGVHAKBWSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(14-5-4-11-24-13-14)21-16-8-12-25-17(16)18-20-9-10-22(18)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-17H,4-5,8,11-13H2,(H,21,23)/t14?,16-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide?
N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 122132981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).