ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate

C22H23N3O6 — CID 25380946

IUPACethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc23)on1
InChIInChI=1S/C22H23N3O6/c1-2-29-20(26)11-16-13-28-10-9-25(16)22(27)18-12-17(31-24-18)14-30-19-7-3-5-15-6-4-8-23-21(15)19/h3-8,12,16H,2,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyLEELVQGPJMTBTC-INIZCTEOSA-N
MW425.44 g/mol
LogP2.60
Rot. Bonds7

About ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate

ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate (PubChem CID 25380946) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
PubChem CID25380946
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Nameethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc23)on1
InChIInChI=1S/C22H23N3O6/c1-2-29-20(26)11-16-13-28-10-9-25(16)22(27)18-12-17(31-24-18)14-30-19-7-3-5-15-6-4-8-23-21(15)19/h3-8,12,16H,2,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyLEELVQGPJMTBTC-INIZCTEOSA-N
XLogP2.60
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
ethyl 2-[(2S)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195750
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42566769
ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
CID 45178950
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
N-(3-methoxyphenyl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)morpholin-3-yl]acetamide
CID 56904398
ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
CID 25369911
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
CID 166284147
N-methyl-5-(quinolin-8-yloxymethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxamide
CID 45240952
ethyl 2-[4-(quinolin-8-yloxymethyl)-2H-triazol-1-ium-1-yl]acetate
CID 139037020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate (CID 25380946) is ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate is CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc23)on1.
What is the InChIKey of ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate?
The InChIKey is LEELVQGPJMTBTC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-2-29-20(26)11-16-13-28-10-9-25(16)22(27)18-12-17(31-24-18)14-30-19-7-3-5-15-6-4-8-23-21(15)19/h3-8,12,16H,2,9-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate?
ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate has a molecular weight of 425.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate is sourced from PubChem (CID 25380946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).