5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide

C20H18ClN5O4 — CID 15981292

IUPAC5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27)
InChIKeyPWQXCYLQJXYHMK-UHFFFAOYSA-N
MW427.85 g/mol
LogP3.06
Rot. Bonds5

About 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide

5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15981292) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID15981292
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27)
InChIKeyPWQXCYLQJXYHMK-UHFFFAOYSA-N
XLogP3.06
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 15981292) is 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PWQXCYLQJXYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15981292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).