4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C18H27N5O — CID 97396949

IUPAC4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-21-14)12-23-7-3-4-18(23)5-8-22(9-6-18)11-16-10-19-13-20-16/h10,13H,3-9,11-12H2,1-2H3,(H,19,20)
InChIKeyKNBRAYYYUAFRSZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.65
Rot. Bonds4

About 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 97396949) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID97396949
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-21-14)12-23-7-3-4-18(23)5-8-22(9-6-18)11-16-10-19-13-20-16/h10,13H,3-9,11-12H2,1-2H3,(H,19,20)
InChIKeyKNBRAYYYUAFRSZ-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
CID 97493560
3,5-dimethyl-4-[[8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155835984
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855870
4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124974631
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495815
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129306
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
(4S)-7-(1H-imidazol-5-ylmethyl)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 97397720
4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124964060
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine
CID 110272157
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 97396949) is 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCCC12CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KNBRAYYYUAFRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-17(15(2)24-21-14)12-23-7-3-4-18(23)5-8-22(9-6-18)11-16-10-19-13-20-16/h10,13H,3-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 329.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 97396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).