N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide

C25H36N4O4 — CID 4083024

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C25H36N4O4/c1-3-4-5-7-21-8-10-22(11-9-21)25(31)29(13-6-12-28-14-16-32-17-15-28)19-24(30)26-23-18-20(2)33-27-23/h8-11,18H,3-7,12-17,19H2,1-2H3,(H,26,27,30)
InChIKeySXAJMNGFIIDVLX-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.52
Rot. Bonds12

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide (PubChem CID 4083024) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
PubChem CID4083024
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C25H36N4O4/c1-3-4-5-7-21-8-10-22(11-9-21)25(31)29(13-6-12-28-14-16-32-17-15-28)19-24(30)26-23-18-20(2)33-27-23/h8-11,18H,3-7,12-17,19H2,1-2H3,(H,26,27,30)
InChIKeySXAJMNGFIIDVLX-UHFFFAOYSA-N
XLogP3.52
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide with MolForge

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Related Compounds

4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3462860
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4133885
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7262304
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
CID 47076439
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide (CID 4083024) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide?
The InChIKey is SXAJMNGFIIDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-3-4-5-7-21-8-10-22(11-9-21)25(31)29(13-6-12-28-14-16-32-17-15-28)19-24(30)26-23-18-20(2)33-27-23/h8-11,18H,3-7,12-17,19H2,1-2H3,(H,26,27,30).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide is sourced from PubChem (CID 4083024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).