3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

C19H23N5O5 — CID 53130507

IUPAC3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCOCC4)n3)c2c1
InChIInChI=1S/C19H23N5O5/c1-13-3-4-15-14(11-13)24(19(26)28-15)12-16-21-18(29-22-16)17(25)20-5-2-6-23-7-9-27-10-8-23/h3-4,11H,2,5-10,12H2,1H3,(H,20,25)
InChIKeyUUTKMPDXEASOOH-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.79
Rot. Bonds7

About 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53130507) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53130507
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCOCC4)n3)c2c1
InChIInChI=1S/C19H23N5O5/c1-13-3-4-15-14(11-13)24(19(26)28-15)12-16-21-18(29-22-16)17(25)20-5-2-6-23-7-9-27-10-8-23/h3-4,11H,2,5-10,12H2,1H3,(H,20,25)
InChIKeyUUTKMPDXEASOOH-UHFFFAOYSA-N
XLogP0.79
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130531
N-[(4-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130500
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-[(2S)-2-phenylpropyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092424
N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130514
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130471
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083026
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(3-morpholin-4-ylpropyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5303250
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081250
N-[3-(azepan-1-yl)propyl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46393489
8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273647
5-[(4-chlorophenyl)methyl]-7-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820706

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (CID 53130507) is 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCOCC4)n3)c2c1.
What is the InChIKey of 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UUTKMPDXEASOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-13-3-4-15-14(11-13)24(19(26)28-15)12-16-21-18(29-22-16)17(25)20-5-2-6-23-7-9-27-10-8-23/h3-4,11H,2,5-10,12H2,1H3,(H,20,25).
What are the key properties of 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53130507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).