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

C17H18N4O3 — CID 91784559

IUPACN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C17H18N4O3/c18-9-13-1-3-14(4-2-13)24-16-5-8-23-11-15(16)20-17(22)10-21-7-6-19-12-21/h1-4,6-7,12,15-16H,5,8,10-11H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyNSTSFYFPJFYADZ-HZPDHXFCSA-N
MW326.36 g/mol
LogP1.11
Rot. Bonds5

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

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide (PubChem CID 91784559) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
PubChem CID91784559
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C17H18N4O3/c18-9-13-1-3-14(4-2-13)24-16-5-8-23-11-15(16)20-17(22)10-21-7-6-19-12-21/h1-4,6-7,12,15-16H,5,8,10-11H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyNSTSFYFPJFYADZ-HZPDHXFCSA-N
XLogP1.11
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide (CID 91784559) is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide is N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cn2ccnc2)cc1.
What is the InChIKey of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
The InChIKey is NSTSFYFPJFYADZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-9-13-1-3-14(4-2-13)24-16-5-8-23-11-15(16)20-17(22)10-21-7-6-19-12-21/h1-4,6-7,12,15-16H,5,8,10-11H2,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide?
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide has a molecular weight of 326.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 91784559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).