4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide

C14H22N2O4 — CID 131921315

IUPAC4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCCCC2CCCO2)c1CO
InChIInChI=1S/C14H22N2O4/c1-10-12(9-17)13(16-20-10)14(18)15-7-3-2-5-11-6-4-8-19-11/h11,17H,2-9H2,1H3,(H,15,18)
InChIKeyZJKZFPKULCHRKF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.55
Rot. Bonds7

About 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide

4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide (PubChem CID 131921315) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
PubChem CID131921315
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCCCC2CCCO2)c1CO
InChIInChI=1S/C14H22N2O4/c1-10-12(9-17)13(16-20-10)14(18)15-7-3-2-5-11-6-4-8-19-11/h11,17H,2-9H2,1H3,(H,15,18)
InChIKeyZJKZFPKULCHRKF-UHFFFAOYSA-N
XLogP1.55
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
1-methyl-3-(2-methylpropyl)-N-[4-[(2S)-oxolan-2-yl]butyl]pyrazole-5-carboxamide
CID 96580843
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide (CID 131921315) is 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCCCCC2CCCO2)c1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZJKZFPKULCHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10-12(9-17)13(16-20-10)14(18)15-7-3-2-5-11-6-4-8-19-11/h11,17H,2-9H2,1H3,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131921315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).