(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C15H20FN3O2 — CID 131685167

IUPAC(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(N1CCC2(CC(n3ccnc3)CO2)C1)C1(F)CCC1
InChIInChI=1S/C15H20FN3O2/c16-15(2-1-3-15)13(20)18-6-4-14(10-18)8-12(9-21-14)19-7-5-17-11-19/h5,7,11-12H,1-4,6,8-10H2
InChIKeyBDVJBYONOPPVQG-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.71
Rot. Bonds2

About (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 131685167) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID131685167
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(N1CCC2(CC(n3ccnc3)CO2)C1)C1(F)CCC1
InChIInChI=1S/C15H20FN3O2/c16-15(2-1-3-15)13(20)18-6-4-14(10-18)8-12(9-21-14)19-7-5-17-11-19/h5,7,11-12H,1-4,6,8-10H2
InChIKeyBDVJBYONOPPVQG-UHFFFAOYSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
CID 134075043
[(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylfuran-3-yl)methanone
CID 97371862
(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155850175
(1-fluorocyclobutyl)-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131686187
(1-fluorocyclobutyl)-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131685195
7-(4-fluorophenyl)sulfonyl-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155854814
7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 134071124
(1-fluorocyclopropyl)-[3-(imidazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131684175
(3S,5S)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 124521791
(3R,5R)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 98778045
3-imidazol-1-yl-9-[(5-methylfuran-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 131661175
3-imidazol-1-yl-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 131641774

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 131685167) is (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(N1CCC2(CC(n3ccnc3)CO2)C1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is BDVJBYONOPPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-15(2-1-3-15)13(20)18-6-4-14(10-18)8-12(9-21-14)19-7-5-17-11-19/h5,7,11-12H,1-4,6,8-10H2.
What are the key properties of (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 293.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 131685167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).