9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C18H30N4O2 — CID 97495815

IUPAC9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1noc(C)c1CN1CCC2(CC1)C(=O)NCCN2CC(C)C
InChIInChI=1S/C18H30N4O2/c1-13(2)11-22-10-7-19-17(23)18(22)5-8-21(9-6-18)12-16-14(3)20-24-15(16)4/h13H,5-12H2,1-4H3,(H,19,23)
InChIKeyZRFFQRHUBQYVGT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.71
Rot. Bonds4

About 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495815) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495815
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1noc(C)c1CN1CCC2(CC1)C(=O)NCCN2CC(C)C
InChIInChI=1S/C18H30N4O2/c1-13(2)11-22-10-7-19-17(23)18(22)5-8-21(9-6-18)12-16-14(3)20-24-15(16)4/h13H,5-12H2,1-4H3,(H,19,23)
InChIKeyZRFFQRHUBQYVGT-UHFFFAOYSA-N
XLogP1.71
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2-oxazole
CID 97385375
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72886185
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
4-[[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97396949
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134076576
3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
CID 165425432
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171704152
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97412826
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110646579

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495815) is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is Cc1noc(C)c1CN1CCC2(CC1)C(=O)NCCN2CC(C)C.
What is the InChIKey of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ZRFFQRHUBQYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)11-22-10-7-19-17(23)18(22)5-8-21(9-6-18)12-16-14(3)20-24-15(16)4/h13H,5-12H2,1-4H3,(H,19,23).
What are the key properties of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 334.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).