(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate

C19H18N2O5 — CID 46519545

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H18N2O5/c1-13(25-16-10-8-15(23-2)9-11-16)19(22)24-12-17-20-21-18(26-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRETCELZBHTZGNE-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.26
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate (PubChem CID 46519545) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
PubChem CID46519545
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H18N2O5/c1-13(25-16-10-8-15(23-2)9-11-16)19(22)24-12-17-20-21-18(26-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRETCELZBHTZGNE-UHFFFAOYSA-N
XLogP3.26
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 25468617
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 84601948
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
CID 18102681

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate (CID 46519545) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate?
The InChIKey is RETCELZBHTZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-13(25-16-10-8-15(23-2)9-11-16)19(22)24-12-17-20-21-18(26-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate has a molecular weight of 354.36 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 46519545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).