methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate

C18H22N2O5 — CID 4237865

IUPACmethyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)COCc1ccccc1
InChIInChI=1S/C18H22N2O5/c1-3-9-20(10-16-19-15(12-25-16)18(22)23-2)17(21)13-24-11-14-7-5-4-6-8-14/h4-8,12H,3,9-11,13H2,1-2H3
InChIKeyYPJGBJGFYUPPLE-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.42
Rot. Bonds9

About methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 4237865) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID4237865
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)COCc1ccccc1
InChIInChI=1S/C18H22N2O5/c1-3-9-20(10-16-19-15(12-25-16)18(22)23-2)17(21)13-24-11-14-7-5-4-6-8-14/h4-8,12H,3,9-11,13H2,1-2H3
InChIKeyYPJGBJGFYUPPLE-UHFFFAOYSA-N
XLogP2.42
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4997781
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 811008
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197462
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3458352
methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197455
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
CID 7237066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate (CID 4237865) is methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)co1)C(=O)COCc1ccccc1.
What is the InChIKey of methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is YPJGBJGFYUPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-9-20(10-16-19-15(12-25-16)18(22)23-2)17(21)13-24-11-14-7-5-4-6-8-14/h4-8,12H,3,9-11,13H2,1-2H3.
What are the key properties of methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4237865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).