1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C20H24FN3O4 — CID 166286823

IUPAC1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCOCCC12CCOCC2
InChIInChI=1S/C20H24FN3O4/c21-16-3-1-15(2-4-16)19-22-17(28-23-19)5-6-18(25)24-10-14-27-13-9-20(24)7-11-26-12-8-20/h1-4H,5-14H2
InChIKeyANZZYACMZRNSPR-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.61
Rot. Bonds4

About 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 166286823) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID166286823
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCOCCC12CCOCC2
InChIInChI=1S/C20H24FN3O4/c21-16-3-1-15(2-4-16)19-22-17(28-23-19)5-6-18(25)24-10-14-27-13-9-20(24)7-11-26-12-8-20/h1-4H,5-14H2
InChIKeyANZZYACMZRNSPR-UHFFFAOYSA-N
XLogP2.61
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one with MolForge

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Related Compounds

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CID 100762654
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1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9269371
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CID 55406914
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 39580767
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9225773
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46413408
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
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3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one
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1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 51536854
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Frequently Asked Questions

What is the IUPAC name of 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 166286823) is 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCOCCC12CCOCC2.
What is the InChIKey of 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is ANZZYACMZRNSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-16-3-1-15(2-4-16)19-22-17(28-23-19)5-6-18(25)24-10-14-27-13-9-20(24)7-11-26-12-8-20/h1-4H,5-14H2.
What are the key properties of 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 389.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,10-dioxa-7-azaspiro[5.6]dodecan-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 166286823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).