8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane

C17H21FN2O3 — CID 13319889

IUPAC8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc2c(CCCN3CCC4(CC3)OCCO4)noc2c1
InChIInChI=1S/C17H21FN2O3/c18-13-3-4-14-15(19-23-16(14)12-13)2-1-7-20-8-5-17(6-9-20)21-10-11-22-17/h3-4,12H,1-2,5-11H2
InChIKeyILOWJDFBBMMGET-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.74
Rot. Bonds4

About 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 13319889) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID13319889
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc2c(CCCN3CCC4(CC3)OCCO4)noc2c1
InChIInChI=1S/C17H21FN2O3/c18-13-3-4-14-15(19-23-16(14)12-13)2-1-7-20-8-5-17(6-9-20)21-10-11-22-17/h3-4,12H,1-2,5-11H2
InChIKeyILOWJDFBBMMGET-UHFFFAOYSA-N
XLogP2.74
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole
CID 13319879
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-ol;hydrochloride
CID 13207832
7-chloro-1'-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]spiro[3a,4-dihydro-3H-1-benzofuran-2,3'-piperidine]
CID 70381199
3-[3-[3-[(3,4-difluorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
CID 166632479
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
CID 13319887
3-[3-[3-[(3,4-dichlorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole;hydrochloride
CID 166634354
3-[3-[3-[(3,4-dimethylphenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole;hydrochloride
CID 166634636
6-fluoro-3-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171995587
N-[[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71151725
1'-[4-(1,2-benzoxazol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 22012167
3-[3-[(3R,4S)-4-(4-bromophenoxy)-3-phenylpiperidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
CID 70532414
N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71151352

Frequently Asked Questions

What is the IUPAC name of 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 13319889) is 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc2c(CCCN3CCC4(CC3)OCCO4)noc2c1.
What is the InChIKey of 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ILOWJDFBBMMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-13-3-4-14-15(19-23-16(14)12-13)2-1-7-20-8-5-17(6-9-20)21-10-11-22-17/h3-4,12H,1-2,5-11H2.
What are the key properties of 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 320.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 13319889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).