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

C15H28N3O3P — CID 145009127

IUPACN-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(P)CC(CC)(CC)C(C)NC(=O)c1cc(CO)on1
InChIInChI=1S/C15H28N3O3P/c1-5-15(6-2,10-18(22)7-3)11(4)16-14(20)13-8-12(9-19)21-17-13/h8,11,19H,5-7,9-10,22H2,1-4H3,(H,16,20)
InChIKeyRDTSIHGQDIBVCK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.20
Rot. Bonds9

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

N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 145009127) has the molecular formula C15H28N3O3P and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID145009127
Molecular FormulaC15H28N3O3P
Molecular Weight329.38 g/mol
Exact Mass329.19
IUPAC NameN-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(P)CC(CC)(CC)C(C)NC(=O)c1cc(CO)on1
InChIInChI=1S/C15H28N3O3P/c1-5-15(6-2,10-18(22)7-3)11(4)16-14(20)13-8-12(9-19)21-17-13/h8,11,19H,5-7,9-10,22H2,1-4H3,(H,16,20)
InChIKeyRDTSIHGQDIBVCK-UHFFFAOYSA-N
XLogP2.20
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-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

N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008819
N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032
N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008946
5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 162165201
N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 158921708
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
CID 126813963
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide
CID 158456902
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 3073011

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 145009127) is N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCN(P)CC(CC)(CC)C(C)NC(=O)c1cc(CO)on1.
What is the InChIKey of N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RDTSIHGQDIBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3O3P/c1-5-15(6-2,10-18(22)7-3)11(4)16-14(20)13-8-12(9-19)21-17-13/h8,11,19H,5-7,9-10,22H2,1-4H3,(H,16,20).
What are the key properties of N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).