2-(1,2,4-oxadiazol-5-yl)acetamide

C4H5N3O2 — CID 54075435

IUPAC2-(1,2,4-oxadiazol-5-yl)acetamide
SMILESNC(=O)Cc1ncno1
InChIInChI=1S/C4H5N3O2/c5-3(8)1-4-6-2-7-9-4/h2H,1H2,(H2,5,8)
InChIKeyMJIPDCDVTPCXQA-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.90
Rot. Bonds2

About 2-(1,2,4-oxadiazol-5-yl)acetamide

2-(1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 54075435) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)acetamide
PubChem CID54075435
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-(1,2,4-oxadiazol-5-yl)acetamide
SMILESNC(=O)Cc1ncno1
InChIInChI=1S/C4H5N3O2/c5-3(8)1-4-6-2-7-9-4/h2H,1H2,(H2,5,8)
InChIKeyMJIPDCDVTPCXQA-UHFFFAOYSA-N
XLogP-0.90
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-Acetonyl-1,2,4-oxadiazole
CID 20130520
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2-(1,2,4-Oxadiazol-5-yl)acetic acid
CID 21312954
N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 54031300
3,3-Dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide
CID 68731031
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397444
Methyl 2-(1,2,4-oxadiazol-5-yl)acetate
CID 141187117
3-nitroso-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106374
3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)acetamide (CID 54075435) is 2-(1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)acetamide is NC(=O)Cc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is MJIPDCDVTPCXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3(8)1-4-6-2-7-9-4/h2H,1H2,(H2,5,8).
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)acetamide?
2-(1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 127.10 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 54075435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).