(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate

C18H23N3O4 — CID 49107647

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate
SMILESCC(C)(C)c1nc(COC(=O)c2ccccc2N2CCOCC2)no1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)17-19-15(20-25-17)12-24-16(22)13-6-4-5-7-14(13)21-8-10-23-11-9-21/h4-7H,8-12H2,1-3H3
InChIKeyXJZBQXXQYWZIMF-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.56
Rot. Bonds4

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate (PubChem CID 49107647) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate
PubChem CID49107647
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate
SMILESCC(C)(C)c1nc(COC(=O)c2ccccc2N2CCOCC2)no1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)17-19-15(20-25-17)12-24-16(22)13-6-4-5-7-14(13)21-8-10-23-11-9-21/h4-7H,8-12H2,1-3H3
InChIKeyXJZBQXXQYWZIMF-UHFFFAOYSA-N
XLogP2.56
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
2-morpholin-4-ylbenzohydrazide
CID 7148386
benzyl 2-pyrrolidin-1-ylbenzoate
CID 168514928
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131948357
2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
CID 175147808
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 31532211

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate (CID 49107647) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate is CC(C)(C)c1nc(COC(=O)c2ccccc2N2CCOCC2)no1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate?
The InChIKey is XJZBQXXQYWZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)17-19-15(20-25-17)12-24-16(22)13-6-4-5-7-14(13)21-8-10-23-11-9-21/h4-7H,8-12H2,1-3H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate has a molecular weight of 345.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-morpholin-4-ylbenzoate is sourced from PubChem (CID 49107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).