N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C14H25N3O3 — CID 145008819

IUPACN-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(C)C(CC)(CC)CNC(=O)c1cc(CO)on1
InChIInChI=1S/C14H25N3O3/c1-5-14(6-2,17(4)7-3)10-15-13(19)12-8-11(9-18)20-16-12/h8,18H,5-7,9-10H2,1-4H3,(H,15,19)
InChIKeyZQWUJKBJIAGEFB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.41
Rot. Bonds8

About N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 145008819) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID145008819
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(C)C(CC)(CC)CNC(=O)c1cc(CO)on1
InChIInChI=1S/C14H25N3O3/c1-5-14(6-2,17(4)7-3)10-15-13(19)12-8-11(9-18)20-16-12/h8,18H,5-7,9-10H2,1-4H3,(H,15,19)
InChIKeyZQWUJKBJIAGEFB-UHFFFAOYSA-N
XLogP1.41
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008946
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
N-[2-[butyl(methyl)amino]-2-ethylbutyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[2-[butyl(methyl)amino]-2-ethylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[butyl(methyl)amino]-2-methylpentyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[2-[butyl(methyl)amino]-2-methylpentyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(diethylamino)-2-methylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[2-(diethylamino)-2-methylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 158229872
N-[2-(bromomethyl)-2-ethylbutyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114164791
N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137386
N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113462673
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 3073011

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 145008819) is N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCN(C)C(CC)(CC)CNC(=O)c1cc(CO)on1.
What is the InChIKey of N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZQWUJKBJIAGEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-14(6-2,17(4)7-3)10-15-13(19)12-8-11(9-18)20-16-12/h8,18H,5-7,9-10H2,1-4H3,(H,15,19).
What are the key properties of N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145008819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).