N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C10H17N3O3 — CID 118698825

IUPACN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(CO)on1
InChIInChI=1S/C10H17N3O3/c1-13(2)5-3-4-11-10(15)9-6-8(7-14)16-12-9/h6,14H,3-5,7H2,1-2H3,(H,11,15)
InChIKeyHWZXWXMMCSBRRH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.15
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118698825) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID118698825
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(CO)on1
InChIInChI=1S/C10H17N3O3/c1-13(2)5-3-4-11-10(15)9-6-8(7-14)16-12-9/h6,14H,3-5,7H2,1-2H3,(H,11,15)
InChIKeyHWZXWXMMCSBRRH-UHFFFAOYSA-N
XLogP-0.15
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide 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

3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118698826
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008819
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 118698825) is N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CN(C)CCCNC(=O)c1cc(CO)on1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HWZXWXMMCSBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13(2)5-3-4-11-10(15)9-6-8(7-14)16-12-9/h6,14H,3-5,7H2,1-2H3,(H,11,15).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).