4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C12H18N4O4 — CID 106403707

IUPAC4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ncno1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H18N4O4/c17-11(18)8-1-3-9(4-2-8)16-12(19)13-6-5-10-14-7-15-20-10/h7-9H,1-6H2,(H,17,18)(H2,13,16,19)
InChIKeyCUPOFALJSHOJOW-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.55
Rot. Bonds5

About 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 106403707) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID106403707
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ncno1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H18N4O4/c17-11(18)8-1-3-9(4-2-8)16-12(19)13-6-5-10-14-7-15-20-10/h7-9H,1-6H2,(H,17,18)(H2,13,16,19)
InChIKeyCUPOFALJSHOJOW-UHFFFAOYSA-N
XLogP0.55
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 106404004
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106404133
(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114183241
4-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000014
4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000069

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 106403707) is 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is O=C(NCCc1ncno1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CUPOFALJSHOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-11(18)8-1-3-9(4-2-8)16-12(19)13-6-5-10-14-7-15-20-10/h7-9H,1-6H2,(H,17,18)(H2,13,16,19).
What are the key properties of 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106403707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).