2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

C15H23N3O3 — CID 133266485

IUPAC2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cn1ccnc1
InChIInChI=1S/C15H23N3O3/c1-12(2)3-8-21-14-4-7-20-10-13(14)17-15(19)9-18-6-5-16-11-18/h3,5-6,11,13-14H,4,7-10H2,1-2H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyXLLZUKWGWOSBHR-UONOGXRCSA-N
MW293.37 g/mol
LogP1.14
Rot. Bonds6

About 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (PubChem CID 133266485) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
PubChem CID133266485
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cn1ccnc1
InChIInChI=1S/C15H23N3O3/c1-12(2)3-8-21-14-4-7-20-10-13(14)17-15(19)9-18-6-5-16-11-18/h3,5-6,11,13-14H,4,7-10H2,1-2H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyXLLZUKWGWOSBHR-UONOGXRCSA-N
XLogP1.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 91795862
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 133267438
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91789474
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 133266943
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91793058
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91763945
2-(1,3-benzodioxol-5-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 91770717
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 133264846
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91769067
5-fluoro-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91764511

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (CID 133266485) is 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is CC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The InChIKey is XLLZUKWGWOSBHR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(2)3-8-21-14-4-7-20-10-13(14)17-15(19)9-18-6-5-16-11-18/h3,5-6,11,13-14H,4,7-10H2,1-2H3,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 133266485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).