N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C15H27N3O3 — CID 118698819

IUPACN-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(C)C(C)(C)CNC(=O)c1cc(CO)on1
InChIInChI=1S/C15H27N3O3/c1-5-6-7-16-11(2)15(3,4)10-17-14(20)13-8-12(9-19)21-18-13/h8,11,16,19H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyOJJKLKNEUZBFOD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.70
Rot. Bonds9

About N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118698819) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID118698819
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(C)C(C)(C)CNC(=O)c1cc(CO)on1
InChIInChI=1S/C15H27N3O3/c1-5-6-7-16-11(2)15(3,4)10-17-14(20)13-8-12(9-19)21-18-13/h8,11,16,19H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyOJJKLKNEUZBFOD-UHFFFAOYSA-N
XLogP1.70
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032
N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 158921708
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008819
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 162165201
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-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 118698819) is N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCCCNC(C)C(C)(C)CNC(=O)c1cc(CO)on1.
What is the InChIKey of N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OJJKLKNEUZBFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-6-7-16-11(2)15(3,4)10-17-14(20)13-8-12(9-19)21-18-13/h8,11,16,19H,5-7,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).