2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid

C14H21N3O4 — CID 106394668

IUPAC2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCc2ncno2)CCCCC1
InChIInChI=1S/C14H21N3O4/c18-11(15-7-4-12-16-10-17-21-12)8-14(9-13(19)20)5-2-1-3-6-14/h10H,1-9H2,(H,15,18)(H,19,20)
InChIKeyGIVLDSZPCNTTKE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.54
Rot. Bonds7

About 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 106394668) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID106394668
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCc2ncno2)CCCCC1
InChIInChI=1S/C14H21N3O4/c18-11(15-7-4-12-16-10-17-21-12)8-14(9-13(19)20)5-2-1-3-6-14/h10H,1-9H2,(H,15,18)(H,19,20)
InChIKeyGIVLDSZPCNTTKE-UHFFFAOYSA-N
XLogP1.54
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
2-[1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclopentyl]acetic acid
CID 63830240
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
2-[1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032552
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106401951
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106399582
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 106394668) is 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCCc2ncno2)CCCCC1.
What is the InChIKey of 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is GIVLDSZPCNTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-11(15-7-4-12-16-10-17-21-12)8-14(9-13(19)20)5-2-1-3-6-14/h10H,1-9H2,(H,15,18)(H,19,20).
What are the key properties of 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 106394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).