N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C17H27N3O4 — CID 134349292

IUPACN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C(O)C(=O)NCC2CCCCC2)no1
InChIInChI=1S/C17H27N3O4/c1-11-9-14(19-24-11)17(23)20(3)12(2)15(21)16(22)18-10-13-7-5-4-6-8-13/h9,12-13,15,21H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyPYTSEJUQSVZDMO-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.50
Rot. Bonds6

About N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 134349292) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID134349292
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C(O)C(=O)NCC2CCCCC2)no1
InChIInChI=1S/C17H27N3O4/c1-11-9-14(19-24-11)17(23)20(3)12(2)15(21)16(22)18-10-13-7-5-4-6-8-13/h9,12-13,15,21H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyPYTSEJUQSVZDMO-UHFFFAOYSA-N
XLogP1.50
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide
CID 134349452
(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95599700
N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
CID 134349320
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71883290
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
CID 56817049
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66158121
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 134349292) is N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)C(O)C(=O)NCC2CCCCC2)no1.
What is the InChIKey of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is PYTSEJUQSVZDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-9-14(19-24-11)17(23)20(3)12(2)15(21)16(22)18-10-13-7-5-4-6-8-13/h9,12-13,15,21H,4-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134349292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).