2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C18H19ClN2O4 — CID 110316706

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19ClN2O4/c19-14-3-1-13(2-4-14)16-11-15(20-25-16)12-17(22)21-7-5-18(6-8-21)23-9-10-24-18/h1-4,11H,5-10,12H2
InChIKeyIKBRHURDSIHMSV-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.90
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 110316706) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID110316706
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19ClN2O4/c19-14-3-1-13(2-4-14)16-11-15(20-25-16)12-17(22)21-7-5-18(6-8-21)23-9-10-24-18/h1-4,11H,5-10,12H2
InChIKeyIKBRHURDSIHMSV-UHFFFAOYSA-N
XLogP2.90
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-(4-chlorophenyl)isoxazol-3-yl)-N-(3-methoxypropyl)acetamide
CID 16878596
[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 53506566
1-Morpholino-2-(5-phenyl-3-isoxazolyl)-1-ethanone
CID 42589849
Ethyl 1-{2-[5-(p-chlorophenyl)-3-isoxazolyl]acetyl}-4-piperidinecarboxylate
CID 16878579
2-(5-(4-chlorophenyl)isoxazol-3-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CID 16878584
2-(5-(4-chlorophenyl)isoxazol-3-yl)-N-(2-(cyclohex-1-en-1-yl)ethyl)acetamide
CID 16878607
N-[3-(morpholin-4-yl)propyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878290
2-(5-(4-chlorophenyl)isoxazol-3-yl)-N-(2,6-difluorobenzyl)acetamide
CID 16878725
Ethyl 1-(2-(5-(4-fluorophenyl)isoxazol-3-yl)acetyl)piperidine-3-carboxylate
CID 16878749
1-(2,6-Dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
N-(4-chlorobenzyl)-2-(5-(4-fluorophenyl)isoxazol-3-yl)acetamide
CID 16878790
Ethyl 1-(2-(5-(2-fluorophenyl)isoxazol-3-yl)acetyl)piperidine-4-carboxylate
CID 30850493

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 110316706) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is IKBRHURDSIHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-14-3-1-13(2-4-14)16-11-15(20-25-16)12-17(22)21-7-5-18(6-8-21)23-9-10-24-18/h1-4,11H,5-10,12H2.
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 362.81 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 110316706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).