(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

C24H27N3O4 — CID 55479477

IUPAC(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OCC3CN(Cc4ccccc4)CCO3)o2)cc1
InChIInChI=1S/C24H27N3O4/c1-18-7-9-20(10-8-18)24-26-25-22(31-24)11-12-23(28)30-17-21-16-27(13-14-29-21)15-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3
InChIKeyPVSMMEWDEJYTET-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.42
Rot. Bonds8

About (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (PubChem CID 55479477) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
PubChem CID55479477
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OCC3CN(Cc4ccccc4)CCO3)o2)cc1
InChIInChI=1S/C24H27N3O4/c1-18-7-9-20(10-8-18)24-26-25-22(31-24)11-12-23(28)30-17-21-16-27(13-14-29-21)15-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3
InChIKeyPVSMMEWDEJYTET-UHFFFAOYSA-N
XLogP3.42
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(4-benzylmorpholin-2-yl)methyl 2-(methanesulfonamido)-3-methylpentanoate
CID 71919615
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (CID 55479477) is (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is Cc1ccc(-c2nnc(CCC(=O)OCC3CN(Cc4ccccc4)CCO3)o2)cc1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The InChIKey is PVSMMEWDEJYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-18-7-9-20(10-8-18)24-26-25-22(31-24)11-12-23(28)30-17-21-16-27(13-14-29-21)15-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate has a molecular weight of 421.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is sourced from PubChem (CID 55479477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).