4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

C18H24N4O4 — CID 122001050

IUPAC4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)no1
InChIInChI=1S/C18H24N4O4/c1-2-16-21-15(22-26-16)10-11-19-18(25)20-14(8-9-17(23)24)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,23,24)(H2,19,20,25)
InChIKeyUYSXRKUOSJLUCZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.95
Rot. Bonds10

About 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122001050) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122001050
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)no1
InChIInChI=1S/C18H24N4O4/c1-2-16-21-15(22-26-16)10-11-19-18(25)20-14(8-9-17(23)24)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,23,24)(H2,19,20,25)
InChIKeyUYSXRKUOSJLUCZ-UHFFFAOYSA-N
XLogP1.95
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000090
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 120546713

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (CID 122001050) is 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is CCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)no1.
What is the InChIKey of 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is UYSXRKUOSJLUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-16-21-15(22-26-16)10-11-19-18(25)20-14(8-9-17(23)24)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,23,24)(H2,19,20,25).
What are the key properties of 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 360.41 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122001050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).