3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C6H10N4O2 — CID 131086378

IUPAC3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(C(N)CC(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-3-9-6(12-10-3)4(7)2-5(8)11/h4H,2,7H2,1H3,(H2,8,11)
InChIKeyHNARISDLKACRRN-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.75
Rot. Bonds3

About 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 131086378) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID131086378
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(C(N)CC(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-3-9-6(12-10-3)4(7)2-5(8)11/h4H,2,7H2,1H3,(H2,8,11)
InChIKeyHNARISDLKACRRN-UHFFFAOYSA-N
XLogP-0.75
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 131086378) is 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(C(N)CC(N)=O)n1.
What is the InChIKey of 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HNARISDLKACRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-9-6(12-10-3)4(7)2-5(8)11/h4H,2,7H2,1H3,(H2,8,11).
What are the key properties of 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 131086378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).