N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide

C20H18Cl2N4O4 — CID 155234443

IUPACN-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1ccc(Cl)nc1)N[C@@H]1CC[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)OC1
InChIInChI=1S/C20H18Cl2N4O4/c21-13-3-1-12(2-4-13)19-25-26-20(30-19)16-7-5-14(10-29-16)24-18(27)11-28-15-6-8-17(22)23-9-15/h1-4,6,8-9,14,16H,5,7,10-11H2,(H,24,27)/t14-,16+/m1/s1
InChIKeyHYDNJTRBXUHPPO-ZBFHGGJFSA-N
MW449.29 g/mol
LogP3.85
Rot. Bonds6

About N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide

N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide (PubChem CID 155234443) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
PubChem CID155234443
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC NameN-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1ccc(Cl)nc1)N[C@@H]1CC[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)OC1
InChIInChI=1S/C20H18Cl2N4O4/c21-13-3-1-12(2-4-13)19-25-26-20(30-19)16-7-5-14(10-29-16)24-18(27)11-28-15-6-8-17(22)23-9-15/h1-4,6,8-9,14,16H,5,7,10-11H2,(H,24,27)/t14-,16+/m1/s1
InChIKeyHYDNJTRBXUHPPO-ZBFHGGJFSA-N
XLogP3.85
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
(3R,6S)-6-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine;hydrochloride
CID 175759715
2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide
CID 161027150
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 165089466
N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 164975573
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide (CID 155234443) is N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide is O=C(COc1ccc(Cl)nc1)N[C@@H]1CC[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)OC1.
What is the InChIKey of N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide?
The InChIKey is HYDNJTRBXUHPPO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c21-13-3-1-12(2-4-13)19-25-26-20(30-19)16-7-5-14(10-29-16)24-18(27)11-28-15-6-8-17(22)23-9-15/h1-4,6,8-9,14,16H,5,7,10-11H2,(H,24,27)/t14-,16+/m1/s1.
What are the key properties of N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide?
N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide has a molecular weight of 449.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 155234443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).