2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide

C10H16N4O2 — CID 106416066

IUPAC2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C10H16N4O2/c1-3-4-8(11)10(15)12-6-5-9-13-7(2)16-14-9/h3,8H,1,4-6,11H2,2H3,(H,12,15)
InChIKeyLQTDSICSBHKCCK-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide

2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide (PubChem CID 106416066) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
PubChem CID106416066
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C10H16N4O2/c1-3-4-8(11)10(15)12-6-5-9-13-7(2)16-14-9/h3,8H,1,4-6,11H2,2H3,(H,12,15)
InChIKeyLQTDSICSBHKCCK-UHFFFAOYSA-N
XLogP-0.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106421839
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
CID 112704204
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide (CID 106416066) is 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide is C=CCC(N)C(=O)NCCc1noc(C)n1.
What is the InChIKey of 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide?
The InChIKey is LQTDSICSBHKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-8(11)10(15)12-6-5-9-13-7(2)16-14-9/h3,8H,1,4-6,11H2,2H3,(H,12,15).
What are the key properties of 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide?
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide has a molecular weight of 224.26 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 106416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).