(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C20H27N3O3 — CID 95229546

IUPAC(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1ccccc1-c1nc(CN2CCO[C@]3(CNCCOC3)C2)c(C)o1
InChIInChI=1S/C20H27N3O3/c1-15-5-3-4-6-17(15)19-22-18(16(2)26-19)11-23-8-10-25-20(13-23)12-21-7-9-24-14-20/h3-6,21H,7-14H2,1-2H3/t20-/m1/s1
InChIKeyFEGHDYGWYWNRSS-HXUWFJFHSA-N
MW357.45 g/mol
LogP2.15
Rot. Bonds3

About (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 95229546) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID95229546
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1ccccc1-c1nc(CN2CCO[C@]3(CNCCOC3)C2)c(C)o1
InChIInChI=1S/C20H27N3O3/c1-15-5-3-4-6-17(15)19-22-18(16(2)26-19)11-23-8-10-25-20(13-23)12-21-7-9-24-14-20/h3-6,21H,7-14H2,1-2H3/t20-/m1/s1
InChIKeyFEGHDYGWYWNRSS-HXUWFJFHSA-N
XLogP2.15
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol
CID 95708185
(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95208621
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
4-[[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 29259202
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-morpholin-4-ylethanone
CID 20860495
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084969
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 95229546) is (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1ccccc1-c1nc(CN2CCO[C@]3(CNCCOC3)C2)c(C)o1.
What is the InChIKey of (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is FEGHDYGWYWNRSS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-5-3-4-6-17(15)19-22-18(16(2)26-19)11-23-8-10-25-20(13-23)12-21-7-9-24-14-20/h3-6,21H,7-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 357.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 95229546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).