3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

C7H12N4O2 — CID 106397824

IUPAC3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ncon1
InChIInChI=1S/C7H12N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-4,8H2,(H,9,12)
InChIKeyMDDPSOGQMQKVJP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.92
Rot. Bonds5

About 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 106397824) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID106397824
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ncon1
InChIInChI=1S/C7H12N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-4,8H2,(H,9,12)
InChIKeyMDDPSOGQMQKVJP-UHFFFAOYSA-N
XLogP-0.92
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 106397824) is 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is NCCC(=O)NCCc1ncon1.
What is the InChIKey of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is MDDPSOGQMQKVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-4,8H2,(H,9,12).
What are the key properties of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 184.20 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 106397824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).