2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid

C13H20N2O3 — CID 65242953

IUPAC2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
SMILESCN(Cc1cnoc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15(9-11-8-14-18-10-11)13(7-12(16)17)5-3-2-4-6-13/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyIVXUTHXFBZPZMR-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid (PubChem CID 65242953) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
PubChem CID65242953
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
SMILESCN(Cc1cnoc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15(9-11-8-14-18-10-11)13(7-12(16)17)5-3-2-4-6-13/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyIVXUTHXFBZPZMR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
2-[1-[(3-hydroxyphenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65243007
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 63644452
2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 66141475
2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242660
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-[(2-chloro-5-fluorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 102616854
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242716
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid (CID 65242953) is 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid is CN(Cc1cnoc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid?
The InChIKey is IVXUTHXFBZPZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(9-11-8-14-18-10-11)13(7-12(16)17)5-3-2-4-6-13/h8,10H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).