5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide

C17H18FN3O4 — CID 171703757

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2F)oc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18FN3O4/c18-12-4-2-1-3-11(12)15-20-13(14(19)22)16(25-15)21-7-5-17(6-8-21)23-9-10-24-17/h1-4H,5-10H2,(H2,19,22)
InChIKeyFSCIMQAERFFPDK-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.92
Rot. Bonds3

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 171703757) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID171703757
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2F)oc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18FN3O4/c18-12-4-2-1-3-11(12)15-20-13(14(19)22)16(25-15)21-7-5-17(6-8-21)23-9-10-24-17/h1-4H,5-10H2,(H2,19,22)
InChIKeyFSCIMQAERFFPDK-UHFFFAOYSA-N
XLogP1.92
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4523890
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110391259
N-(2,6-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352559
2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
8-[3-(2-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46063453
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 171703757) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2ccccc2F)oc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FSCIMQAERFFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-12-4-2-1-3-11(12)15-20-13(14(19)22)16(25-15)21-7-5-17(6-8-21)23-9-10-24-17/h1-4H,5-10H2,(H2,19,22).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171703757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).