3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid

C13H20N2O3 — CID 106369276

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCc1cnc(CNC2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-2-11-7-15-12(18-11)8-14-10-5-3-4-9(6-10)13(16)17/h7,9-10,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyJSLJDEFQHPDLHL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.97
Rot. Bonds5

About 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid

3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 106369276) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID106369276
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCc1cnc(CNC2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-2-11-7-15-12(18-11)8-14-10-5-3-4-9(6-10)13(16)17/h7,9-10,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyJSLJDEFQHPDLHL-UHFFFAOYSA-N
XLogP1.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclohexyl-2-[(5-propan-2-yl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 96415714
N-[1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933244
N-[1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933245
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethanamine
CID 81933833
1-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81933850
N-[[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933870
N-ethyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethanamine
CID 81933871
N-ethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethanamine
CID 81933892
N-[1-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933919
N-[[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933949
N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933977
N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81934001

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (CID 106369276) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is CCc1cnc(CNC2CCCC(C(=O)O)C2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JSLJDEFQHPDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-11-7-15-12(18-11)8-14-10-5-3-4-9(6-10)13(16)17/h7,9-10,14H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106369276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).