N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide

C18H24N6O3 — CID 51052710

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)N1CCOCC1
InChIInChI=1S/C18H24N6O3/c1-18(2,24-6-8-27-9-7-24)11-19-16(25)17(26)22-14-4-3-5-15(10-14)23-12-20-21-13-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,25)(H,22,26)
InChIKeyNHOOCOSEFKIUSP-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.43
Rot. Bonds5

About N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide (PubChem CID 51052710) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
PubChem CID51052710
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)N1CCOCC1
InChIInChI=1S/C18H24N6O3/c1-18(2,24-6-8-27-9-7-24)11-19-16(25)17(26)22-14-4-3-5-15(10-14)23-12-20-21-13-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,25)(H,22,26)
InChIKeyNHOOCOSEFKIUSP-UHFFFAOYSA-N
XLogP0.43
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51054016
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87044150
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698753
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
N-(2-methyl-2-morpholin-4-ylpropyl)-N'-(4-oxo-1H-pyridin-3-yl)oxamide
CID 51049208
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
CID 8684485
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51052929
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 17471893
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide (CID 51052710) is N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide is CC(C)(CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The InChIKey is NHOOCOSEFKIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-18(2,24-6-8-27-9-7-24)11-19-16(25)17(26)22-14-4-3-5-15(10-14)23-12-20-21-13-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,25)(H,22,26).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide has a molecular weight of 372.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide is sourced from PubChem (CID 51052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).