3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

C7H12N4O2 — CID 106400586

IUPAC3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1ncon1
InChIInChI=1S/C7H12N4O2/c8-6(12)1-3-9-4-2-7-10-5-13-11-7/h5,9H,1-4H2,(H2,8,12)
InChIKeyPIHBSNXSSIKSLH-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.92
Rot. Bonds6

About 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (PubChem CID 106400586) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
PubChem CID106400586
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1ncon1
InChIInChI=1S/C7H12N4O2/c8-6(12)1-3-9-4-2-7-10-5-13-11-7/h5,9H,1-4H2,(H2,8,12)
InChIKeyPIHBSNXSSIKSLH-UHFFFAOYSA-N
XLogP-0.92
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400717
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
6-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397822
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (CID 106400586) is 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is NC(=O)CCNCCc1ncon1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The InChIKey is PIHBSNXSSIKSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-6(12)1-3-9-4-2-7-10-5-13-11-7/h5,9H,1-4H2,(H2,8,12).
What are the key properties of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide has a molecular weight of 184.20 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 106400586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).