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

C14H22N2O4 — CID 66188771

IUPAC2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCc1cc(CNCC2CCCCC2C(=O)O)no1
InChIInChI=1S/C14H22N2O4/c1-19-9-12-6-11(16-20-12)8-15-7-10-4-2-3-5-13(10)14(17)18/h6,10,13,15H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyIBPWZYSLIRHGFK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.80
Rot. Bonds7

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

2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 66188771) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID66188771
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCc1cc(CNCC2CCCCC2C(=O)O)no1
InChIInChI=1S/C14H22N2O4/c1-19-9-12-6-11(16-20-12)8-15-7-10-4-2-3-5-13(10)14(17)18/h6,10,13,15H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyIBPWZYSLIRHGFK-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 79261219
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077039
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
CID 66188763
2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 113242302
2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 66158513
N-cyclopentyloxy-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 83202345
2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
CID 66189953

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid (CID 66188771) is 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid is COCc1cc(CNCC2CCCCC2C(=O)O)no1.
What is the InChIKey of 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is IBPWZYSLIRHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-19-9-12-6-11(16-20-12)8-15-7-10-4-2-3-5-13(10)14(17)18/h6,10,13,15H,2-5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66188771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).