4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid

C13H21N3O3 — CID 79532558

IUPAC4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCc1noc(CNCC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-2-11-15-12(19-16-11)8-14-7-9-3-5-10(6-4-9)13(17)18/h9-10,14H,2-8H2,1H3,(H,17,18)
InChIKeyMUTBZGQWUGSHDZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.61
Rot. Bonds6

About 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532558) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532558
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCc1noc(CNCC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-2-11-15-12(19-16-11)8-14-7-9-3-5-10(6-4-9)13(17)18/h9-10,14H,2-8H2,1H3,(H,17,18)
InChIKeyMUTBZGQWUGSHDZ-UHFFFAOYSA-N
XLogP1.61
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 65133564
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 61496275
6-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methylhexanoic acid
CID 65290103
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylbutanoic acid
CID 43468263
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid (CID 79532558) is 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid is CCc1noc(CNCC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MUTBZGQWUGSHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-11-15-12(19-16-11)8-14-7-9-3-5-10(6-4-9)13(17)18/h9-10,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).