N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide

C16H18FN3O3 — CID 91769787

IUPACN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H18FN3O3/c17-12-2-1-3-13(8-12)23-15-4-7-22-10-14(15)19-16(21)9-20-6-5-18-11-20/h1-3,5-6,8,11,14-15H,4,7,9-10H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyMFQZDUUVOHDCFM-CABCVRRESA-N
MW319.34 g/mol
LogP1.37
Rot. Bonds5

About N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide (PubChem CID 91769787) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
PubChem CID91769787
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H18FN3O3/c17-12-2-1-3-13(8-12)23-15-4-7-22-10-14(15)19-16(21)9-20-6-5-18-11-20/h1-3,5-6,8,11,14-15H,4,7,9-10H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyMFQZDUUVOHDCFM-CABCVRRESA-N
XLogP1.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 110146632
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide (CID 91769787) is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The InChIKey is MFQZDUUVOHDCFM-CABCVRRESA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-2-1-3-13(8-12)23-15-4-7-22-10-14(15)19-16(21)9-20-6-5-18-11-20/h1-3,5-6,8,11,14-15H,4,7,9-10H2,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide has a molecular weight of 319.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 91769787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).