(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone

C16H19N3O2S — CID 134075043

IUPAC(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC2(CC(n3ccnc3)CO2)C1
InChIInChI=1S/C16H19N3O2S/c20-15(13-2-7-22-10-13)18-5-1-3-16(11-18)8-14(9-21-16)19-6-4-17-12-19/h2,4,6-7,10,12,14H,1,3,5,8-9,11H2
InChIKeyCRPZZUCKJJBVBA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds2

About (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone

(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone (PubChem CID 134075043) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
PubChem CID134075043
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC2(CC(n3ccnc3)CO2)C1
InChIInChI=1S/C16H19N3O2S/c20-15(13-2-7-22-10-13)18-5-1-3-16(11-18)8-14(9-21-16)19-6-4-17-12-19/h2,4,6-7,10,12,14H,1,3,5,8-9,11H2
InChIKeyCRPZZUCKJJBVBA-UHFFFAOYSA-N
XLogP2.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylfuran-3-yl)methanone
CID 97371862
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419526
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155850175
[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97489100
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155830003
(1-fluorocyclobutyl)-(3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131685167
3-imidazol-1-yl-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 131641774
[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97486693
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
(3S,5S)-3-imidazol-1-yl-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 124519946
3-imidazol-1-yl-9-[(5-methylfuran-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 131661175

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone (CID 134075043) is (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC2(CC(n3ccnc3)CO2)C1.
What is the InChIKey of (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone?
The InChIKey is CRPZZUCKJJBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(13-2-7-22-10-13)18-5-1-3-16(11-18)8-14(9-21-16)19-6-4-17-12-19/h2,4,6-7,10,12,14H,1,3,5,8-9,11H2.
What are the key properties of (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone?
(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 134075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).