(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C23H20N2O4 — CID 8952574

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCc3nc(-c4ccccc4)no3)ccc2c1
InChIInChI=1S/C23H20N2O4/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)23(26)28-14-21-24-22(25-29-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyLCIUTDOWSIPVRY-HNNXBMFYSA-N
MW388.42 g/mol
LogP4.75
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952574) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952574
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCc3nc(-c4ccccc4)no3)ccc2c1
InChIInChI=1S/C23H20N2O4/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)23(26)28-14-21-24-22(25-29-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyLCIUTDOWSIPVRY-HNNXBMFYSA-N
XLogP4.75
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8551423
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 8534566
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate
CID 39803357
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4,5-trimethylfuran-3-carboxylate
CID 34793994
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952574) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCc3nc(-c4ccccc4)no3)ccc2c1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is LCIUTDOWSIPVRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)23(26)28-14-21-24-22(25-29-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 388.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).