ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate

C21H28N2O5 — CID 45195557

IUPACethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C
InChIInChI=1S/C21H28N2O5/c1-5-27-20(24)11-17-13-26-9-8-23(17)12-18-15(3)28-21(22-18)16-6-7-19(25-4)14(2)10-16/h6-7,10,17H,5,8-9,11-13H2,1-4H3
InChIKeyQGDIDPQBGFCMRM-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.12
Rot. Bonds7

About ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate

ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate (PubChem CID 45195557) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
PubChem CID45195557
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Nameethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C
InChIInChI=1S/C21H28N2O5/c1-5-27-20(24)11-17-13-26-9-8-23(17)12-18-15(3)28-21(22-18)16-6-7-19(25-4)14(2)10-16/h6-7,10,17H,5,8-9,11-13H2,1-4H3
InChIKeyQGDIDPQBGFCMRM-UHFFFAOYSA-N
XLogP3.12
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45189758
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
ethyl 2-[(3S)-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]acetate
CID 28734125
ethyl 2-[1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 45189467
ethyl 2-[(2S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42453482
ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate
CID 74809841
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
ethyl 2-[(3S)-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 25367233
ethyl 2-[(2R)-1-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42382400
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate (CID 45195557) is ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C.
What is the InChIKey of ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate?
The InChIKey is QGDIDPQBGFCMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-5-27-20(24)11-17-13-26-9-8-23(17)12-18-15(3)28-21(22-18)16-6-7-19(25-4)14(2)10-16/h6-7,10,17H,5,8-9,11-13H2,1-4H3.
What are the key properties of ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate?
ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate has a molecular weight of 388.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate is sourced from PubChem (CID 45195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).