5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

C13H20N2O3 — CID 112753457

IUPAC5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCN(Cc1oncc1C(=O)O)CC1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15(8-10-5-3-2-4-6-10)9-12-11(13(16)17)7-14-18-12/h7,10H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyRMULYZLTNZJBEA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds5

About 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753457) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753457
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCN(Cc1oncc1C(=O)O)CC1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15(8-10-5-3-2-4-6-10)9-12-11(13(16)17)7-14-18-12/h7,10H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyRMULYZLTNZJBEA-UHFFFAOYSA-N
XLogP2.38
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid
CID 83580355
5-[(2-Oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753445
5-[(4-Tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753446
5-[(3-Carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753450
5-[[Bis(2-methylpropyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753452
5-[[Piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753453
5-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753456
5-[[4-[(Dimethylamino)methyl]piperidin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753458
5-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753460
5-[[Cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753461
5-[(4-Tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753466
5-[(4-Propylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753467

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (CID 112753457) is 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is CN(Cc1oncc1C(=O)O)CC1CCCCC1.
What is the InChIKey of 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is RMULYZLTNZJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(8-10-5-3-2-4-6-10)9-12-11(13(16)17)7-14-18-12/h7,10H,2-6,8-9H2,1H3,(H,16,17).
What are the key properties of 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).