ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate

C20H25N3O5 — CID 110316727

IUPACethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cc(-c3cccc(OC)c3)on2)CC1
InChIInChI=1S/C20H25N3O5/c1-3-27-20(25)23-9-7-15(8-10-23)21-19(24)13-16-12-18(28-22-16)14-5-4-6-17(11-14)26-2/h4-6,11-12,15H,3,7-10,13H2,1-2H3,(H,21,24)
InChIKeyZXRXSLHPEQLWHR-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.63
Rot. Bonds6

About ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 110316727) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID110316727
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Nameethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cc(-c3cccc(OC)c3)on2)CC1
InChIInChI=1S/C20H25N3O5/c1-3-27-20(25)23-9-7-15(8-10-23)21-19(24)13-16-12-18(28-22-16)14-5-4-6-17(11-14)26-2/h4-6,11-12,15H,3,7-10,13H2,1-2H3,(H,21,24)
InChIKeyZXRXSLHPEQLWHR-UHFFFAOYSA-N
XLogP2.63
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 16878951
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110316742
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 4-[[N'-[3-(3-methoxyphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111816962
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate (CID 110316727) is ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2cc(-c3cccc(OC)c3)on2)CC1.
What is the InChIKey of ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZXRXSLHPEQLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-3-27-20(25)23-9-7-15(8-10-23)21-19(24)13-16-12-18(28-22-16)14-5-4-6-17(11-14)26-2/h4-6,11-12,15H,3,7-10,13H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110316727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).