3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

C13H14N4O3 — CID 154784421

IUPAC3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C13H14N4O3/c14-11(18)13-15-12(16-20-13)9-1-3-10(4-2-9)17-5-7-19-8-6-17/h1-4H,5-8H2,(H2,14,18)
InChIKeyRAPWNEQQNWZSSJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.67
Rot. Bonds3

About 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 154784421) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID154784421
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C13H14N4O3/c14-11(18)13-15-12(16-20-13)9-1-3-10(4-2-9)17-5-7-19-8-6-17/h1-4H,5-8H2,(H2,14,18)
InChIKeyRAPWNEQQNWZSSJ-UHFFFAOYSA-N
XLogP0.67
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 42536958
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827865
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169402181

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 154784421) is 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)no1.
What is the InChIKey of 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RAPWNEQQNWZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-11(18)13-15-12(16-20-13)9-1-3-10(4-2-9)17-5-7-19-8-6-17/h1-4H,5-8H2,(H2,14,18).
What are the key properties of 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 154784421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).