1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C21H27N3O3 — CID 163312463

IUPAC1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccccc1-c1nc(CN2CCCC23CCCN(C)C3=O)c(C)o1
InChIInChI=1S/C21H27N3O3/c1-15-17(22-19(27-15)16-8-4-5-9-18(16)26-3)14-24-13-7-11-21(24)10-6-12-23(2)20(21)25/h4-5,8-9H,6-7,10-14H2,1-3H3
InChIKeyPCNXSPAGMQIEHO-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.25
Rot. Bonds4

About 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163312463) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163312463
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccccc1-c1nc(CN2CCCC23CCCN(C)C3=O)c(C)o1
InChIInChI=1S/C21H27N3O3/c1-15-17(22-19(27-15)16-8-4-5-9-18(16)26-3)14-24-13-7-11-21(24)10-6-12-23(2)20(21)25/h4-5,8-9H,6-7,10-14H2,1-3H3
InChIKeyPCNXSPAGMQIEHO-UHFFFAOYSA-N
XLogP3.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
N-cyclopentyl-4-methoxy-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 154571106
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053463
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053476
[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15951752
1-(3,5-dimethylmorpholin-4-yl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110631177
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
2-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 92867507

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 163312463) is 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is COc1ccccc1-c1nc(CN2CCCC23CCCN(C)C3=O)c(C)o1.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PCNXSPAGMQIEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-17(22-19(27-15)16-8-4-5-9-18(16)26-3)14-24-13-7-11-21(24)10-6-12-23(2)20(21)25/h4-5,8-9H,6-7,10-14H2,1-3H3.
What are the key properties of 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 369.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163312463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).