N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide

C25H31N7O4 — CID 167820457

IUPACN'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C25H31N7O4/c33-23(27-6-1-9-30-10-12-31(13-11-30)20-4-7-26-8-5-20)24(34)28-19-2-3-21-22(18-19)36-25(29-21)32-14-16-35-17-15-32/h2-5,7-8,18H,1,6,9-17H2,(H,27,33)(H,28,34)
InChIKeyJSJWTQWKGPDLEL-UHFFFAOYSA-N
MW493.57 g/mol
LogP1.33
Rot. Bonds7

About N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide

N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide (PubChem CID 167820457) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
PubChem CID167820457
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC NameN'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C25H31N7O4/c33-23(27-6-1-9-30-10-12-31(13-11-30)20-4-7-26-8-5-20)24(34)28-19-2-3-21-22(18-19)36-25(29-21)32-14-16-35-17-15-32/h2-5,7-8,18H,1,6,9-17H2,(H,27,33)(H,28,34)
InChIKeyJSJWTQWKGPDLEL-UHFFFAOYSA-N
XLogP1.33
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
CID 122088077
2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
CID 120705137
N'-[2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]ethyl]-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 166401640
N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 39032833
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390316
N'-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 167823850
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 71914587
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
N'-(3,5-dimethylphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390295

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide (CID 167820457) is N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide is O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.
What is the InChIKey of N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide?
The InChIKey is JSJWTQWKGPDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c33-23(27-6-1-9-30-10-12-31(13-11-30)20-4-7-26-8-5-20)24(34)28-19-2-3-21-22(18-19)36-25(29-21)32-14-16-35-17-15-32/h2-5,7-8,18H,1,6,9-17H2,(H,27,33)(H,28,34).
What are the key properties of N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide?
N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide has a molecular weight of 493.57 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 167820457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).