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

C14H21N3O4 — CID 106414642

IUPAC1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)CC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-16-11(17-21-10)5-8-15-12(18)9-14(13(19)20)6-3-2-4-7-14/h2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyUDVXHEFCSLVNGN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.46
Rot. Bonds6

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

1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 106414642) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID106414642
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)CC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-16-11(17-21-10)5-8-15-12(18)9-14(13(19)20)6-3-2-4-7-14/h2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyUDVXHEFCSLVNGN-UHFFFAOYSA-N
XLogP1.46
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106414658
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106394710
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106394720
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 106414642) is 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is Cc1nc(CCNC(=O)CC2(C(=O)O)CCCCC2)no1.
What is the InChIKey of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is UDVXHEFCSLVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-16-11(17-21-10)5-8-15-12(18)9-14(13(19)20)6-3-2-4-7-14/h2-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106414642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).