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

C15H17N3O2 — CID 128986246

IUPACN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(19)17-13-7-10-20-14(13)15-16-8-9-18(15)12-5-3-2-4-6-12/h2-6,8-9,13-14H,7,10H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyZCUYXNCQIWAVDS-KBPBESRZSA-N
MW271.32 g/mol
LogP1.84
Rot. Bonds3

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

N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide (PubChem CID 128986246) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
PubChem CID128986246
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(19)17-13-7-10-20-14(13)15-16-8-9-18(15)12-5-3-2-4-6-12/h2-6,8-9,13-14H,7,10H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyZCUYXNCQIWAVDS-KBPBESRZSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide (CID 128986246) is N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide is CC(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1.
What is the InChIKey of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide?
The InChIKey is ZCUYXNCQIWAVDS-KBPBESRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)17-13-7-10-20-14(13)15-16-8-9-18(15)12-5-3-2-4-6-12/h2-6,8-9,13-14H,7,10H2,1H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide?
N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 128986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).