3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole

C21H30N4O2 — CID 72889845

IUPAC3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCC3(CC2)CC(c2ccccc2)CN(C)C3)n1
InChIInChI=1S/C21H30N4O2/c1-24-13-18(17-6-4-3-5-7-17)12-21(16-24)8-10-25(11-9-21)14-20-22-19(15-26-2)23-27-20/h3-7,18H,8-16H2,1-2H3
InChIKeyMMZHXRMTXRZJPL-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.92
Rot. Bonds5

About 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72889845) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
PubChem CID72889845
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCC3(CC2)CC(c2ccccc2)CN(C)C3)n1
InChIInChI=1S/C21H30N4O2/c1-24-13-18(17-6-4-3-5-7-17)12-21(16-24)8-10-25(11-9-21)14-20-22-19(15-26-2)23-27-20/h3-7,18H,8-16H2,1-2H3
InChIKeyMMZHXRMTXRZJPL-UHFFFAOYSA-N
XLogP2.92
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole (CID 72889845) is 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole is COCc1noc(CN2CCC3(CC2)CC(c2ccccc2)CN(C)C3)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MMZHXRMTXRZJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24-13-18(17-6-4-3-5-7-17)12-21(16-24)8-10-25(11-9-21)14-20-22-19(15-26-2)23-27-20/h3-7,18H,8-16H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 370.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72889845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).