[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone

C26H29ClN4O3 — CID 58002375

IUPAC[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3nc(-c4ccc(Cl)cc4)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H29ClN4O3/c1-2-18-3-5-19(6-4-18)21-15-22(17-31(16-21)26(32)30-11-13-33-14-12-30)25-28-24(29-34-25)20-7-9-23(27)10-8-20/h3-10,21-22H,2,11-17H2,1H3
InChIKeyOZKYOBYUWSZLTD-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.98
Rot. Bonds4

About [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone

[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 58002375) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID58002375
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3nc(-c4ccc(Cl)cc4)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H29ClN4O3/c1-2-18-3-5-19(6-4-18)21-15-22(17-31(16-21)26(32)30-11-13-33-14-12-30)25-28-24(29-34-25)20-7-9-23(27)10-8-20/h3-10,21-22H,2,11-17H2,1H3
InChIKeyOZKYOBYUWSZLTD-UHFFFAOYSA-N
XLogP4.98
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 42629041
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002212
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
[3-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002685
5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
CID 86666091
[3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002255
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116470
[3-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621556
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 58002375) is [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone is CCc1ccc(C2CC(c3nc(-c4ccc(Cl)cc4)no3)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OZKYOBYUWSZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-2-18-3-5-19(6-4-18)21-15-22(17-31(16-21)26(32)30-11-13-33-14-12-30)25-28-24(29-34-25)20-7-9-23(27)10-8-20/h3-10,21-22H,2,11-17H2,1H3.
What are the key properties of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 481.00 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58002375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).