8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane

C20H27N3O2 — CID 134074924

IUPAC8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCC2(CC1)CC(OCc1ccccc1)CO2
InChIInChI=1S/C20H27N3O2/c1-16-19(22-15-21-16)12-23-9-7-20(8-10-23)11-18(14-25-20)24-13-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22)
InChIKeySZGWNSSYVRZVFH-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.06
Rot. Bonds5

About 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane

8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134074924) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID134074924
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCC2(CC1)CC(OCc1ccccc1)CO2
InChIInChI=1S/C20H27N3O2/c1-16-19(22-15-21-16)12-23-9-7-20(8-10-23)11-18(14-25-20)24-13-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22)
InChIKeySZGWNSSYVRZVFH-UHFFFAOYSA-N
XLogP3.06
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

7-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 134073918
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371216
8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 131659789
8-[(2-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131639785
8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 134074923
(3S)-8-[(3-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419069
(3S)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97490555
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419037
(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418757
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane (CID 134074924) is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane is Cc1[nH]cnc1CN1CCC2(CC1)CC(OCc1ccccc1)CO2.
What is the InChIKey of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SZGWNSSYVRZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-19(22-15-21-16)12-23-9-7-20(8-10-23)11-18(14-25-20)24-13-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22).
What are the key properties of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 341.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134074924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).