methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate

C20H21NO5 — CID 18474909

IUPACmethyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(OC)oc(=O)n1C(C)c1cccc2ccccc12
InChIInChI=1S/C20H21NO5/c1-13(15-10-6-8-14-7-4-5-9-16(14)15)21-17(11-12-18(22)24-2)19(25-3)26-20(21)23/h4-10,13H,11-12H2,1-3H3
InChIKeyPENABTBBMUOXJS-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.32
Rot. Bonds6

About methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate

methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate (PubChem CID 18474909) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate
PubChem CID18474909
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(OC)oc(=O)n1C(C)c1cccc2ccccc12
InChIInChI=1S/C20H21NO5/c1-13(15-10-6-8-14-7-4-5-9-16(14)15)21-17(11-12-18(22)24-2)19(25-3)26-20(21)23/h4-10,13H,11-12H2,1-3H3
InChIKeyPENABTBBMUOXJS-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate with MolForge

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Related Compounds

methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
1-O-methyl 4-O-naphthalen-1-yl butanedioate
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methyl 3-(2-benzofuran-1-yl)propanoate
CID 71364594
methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 12010031
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 3-(2-methylnaphthalen-1-yl)propanoate
CID 82550347
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
CID 127050679
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate?
The IUPAC name of methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate (CID 18474909) is methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate is COC(=O)CCc1c(OC)oc(=O)n1C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate?
The InChIKey is PENABTBBMUOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-13(15-10-6-8-14-7-4-5-9-16(14)15)21-17(11-12-18(22)24-2)19(25-3)26-20(21)23/h4-10,13H,11-12H2,1-3H3.
What are the key properties of methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate?
methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate has a molecular weight of 355.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate is sourced from PubChem (CID 18474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).