3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide

C17H21N5O4 — CID 39036188

IUPAC3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCCN2CCOCC2)n1)Nc1ccccc1
InChIInChI=1S/C17H21N5O4/c23-15(19-13-4-2-1-3-5-13)12-14-20-17(26-21-14)16(24)18-6-7-22-8-10-25-11-9-22/h1-5H,6-12H2,(H,18,24)(H,19,23)
InChIKeyILEQPBNIPVYDRH-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.31
Rot. Bonds7

About 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide

3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39036188) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID39036188
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCCN2CCOCC2)n1)Nc1ccccc1
InChIInChI=1S/C17H21N5O4/c23-15(19-13-4-2-1-3-5-13)12-14-20-17(26-21-14)16(24)18-6-7-22-8-10-25-11-9-22/h1-5H,6-12H2,(H,18,24)(H,19,23)
InChIKeyILEQPBNIPVYDRH-UHFFFAOYSA-N
XLogP0.31
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 110625311
2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111073692
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 39036188) is 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(Cc1noc(C(=O)NCCN2CCOCC2)n1)Nc1ccccc1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ILEQPBNIPVYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-15(19-13-4-2-1-3-5-13)12-14-20-17(26-21-14)16(24)18-6-7-22-8-10-25-11-9-22/h1-5H,6-12H2,(H,18,24)(H,19,23).
What are the key properties of 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39036188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).