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

C11H20N3O3P — CID 145009032

IUPACN-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1cc(CO)on1)NP
InChIInChI=1S/C11H20N3O3P/c1-3-11(4-2,14-18)7-12-10(16)9-5-8(6-15)17-13-9/h5,14-15H,3-4,6-7,18H2,1-2H3,(H,12,16)
InChIKeyHDXGFUGLNFXZFV-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.84
Rot. Bonds7

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

N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 145009032) has the molecular formula C11H20N3O3P and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID145009032
Molecular FormulaC11H20N3O3P
Molecular Weight273.27 g/mol
Exact Mass273.12
IUPAC NameN-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1cc(CO)on1)NP
InChIInChI=1S/C11H20N3O3P/c1-3-11(4-2,14-18)7-12-10(16)9-5-8(6-15)17-13-9/h5,14-15H,3-4,6-7,18H2,1-2H3,(H,12,16)
InChIKeyHDXGFUGLNFXZFV-UHFFFAOYSA-N
XLogP0.84
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008819
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-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
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-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008946
N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113462673
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
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-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 145009032) is N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCC(CC)(CNC(=O)c1cc(CO)on1)NP.
What is the InChIKey of N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HDXGFUGLNFXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O3P/c1-3-11(4-2,14-18)7-12-10(16)9-5-8(6-15)17-13-9/h5,14-15H,3-4,6-7,18H2,1-2H3,(H,12,16).
What are the key properties of N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145009032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).