7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane

C17H20FN3O — CID 134071124

IUPAC7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1ccc(CN2CCC3(CC(n4ccnc4)CO3)C2)cc1
InChIInChI=1S/C17H20FN3O/c18-15-3-1-14(2-4-15)10-20-7-5-17(12-20)9-16(11-22-17)21-8-6-19-13-21/h1-4,6,8,13,16H,5,7,9-12H2
InChIKeyCAJIWMORLVMSOZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.63
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane

7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134071124) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134071124
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1ccc(CN2CCC3(CC(n4ccnc4)CO3)C2)cc1
InChIInChI=1S/C17H20FN3O/c18-15-3-1-14(2-4-15)10-20-7-5-17(12-20)9-16(11-22-17)21-8-6-19-13-21/h1-4,6,8,13,16H,5,7,9-12H2
InChIKeyCAJIWMORLVMSOZ-UHFFFAOYSA-N
XLogP2.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 134078908
3-imidazol-1-yl-9-[(5-methylfuran-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 131661175
(3S,5S)-3-imidazol-1-yl-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 124519946
3-imidazol-1-yl-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 131641774
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]-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131646650
(3S,5S)-7-[(4-fluorophenyl)methyl]-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124519867
7-[(4-fluorophenyl)methyl]-N-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131645238
(3R,5R)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 98778045
(3S,5S)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 124521791
(3R,5S)-7-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371010
7-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131642908

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane (CID 134071124) is 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane is Fc1ccc(CN2CCC3(CC(n4ccnc4)CO3)C2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is CAJIWMORLVMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-3-1-14(2-4-15)10-20-7-5-17(12-20)9-16(11-22-17)21-8-6-19-13-21/h1-4,6,8,13,16H,5,7,9-12H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane?
7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 301.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134071124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).