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

C16H16ClN3O4 — CID 110391259

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2Cl)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H16ClN3O4/c17-12-4-2-1-3-11(12)13-18-19-14(24-13)15(21)20-7-5-16(6-8-20)22-9-10-23-16/h1-4H,5-10H2
InChIKeyBSKWQPDGYWRWJW-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.37
Rot. Bonds2

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

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110391259) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110391259
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2Cl)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H16ClN3O4/c17-12-4-2-1-3-11(12)13-18-19-14(24-13)15(21)20-7-5-16(6-8-20)22-9-10-23-16/h1-4H,5-10H2
InChIKeyBSKWQPDGYWRWJW-UHFFFAOYSA-N
XLogP2.37
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-isopropyl-2,3-dihydro-p-dioxin-5-carboxamide
CID 24686806
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25162878
8-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 1631759
N-[(2-chlorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431719
Ethyl 4-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761542
N-[2-(2-chlorophenyl)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 155550283
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24980179
Ethyl 4-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 44121506
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 53624152
8-{[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-YL](phenyl)methyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 20944844
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110391497
Ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761543

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110391259) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1nnc(-c2ccccc2Cl)o1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is BSKWQPDGYWRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-12-4-2-1-3-11(12)13-18-19-14(24-13)15(21)20-7-5-16(6-8-20)22-9-10-23-16/h1-4H,5-10H2.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 349.77 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110391259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).